SCHEMBL255565

SCHEMBL255565

CCCCOc1cccc(F)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.54
LTA4H P09960 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP19A1 P11511 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
MAOB P27338 2/20 0.51
TLR4 O00206 1/20 0.49
TLR2 O60603 1/20 0.49
KMT2A Q03164 1/20 0.49
THRB P10828 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
PLA2G4B P0C869 1/20 0.47
GPBAR1 Q8TDU6 1/20 0.47
CYSLTR2 Q9NS75 1/20 0.47
CYSLTR1 Q9Y271 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30167692 1.00 TSHR (0.54) TSHRLTA4HCYP1A2CYP19A1CYP2C9
SCHEMBL10477053 0.94 TSHR (0.62) TSHRLTA4HCYP1A2CYP19A1CYP2C9
SCHEMBL1522035 0.93 TSHR (0.65) TSHRLTA4HCYP1A2CYP19A1CYP2C9
SCHEMBL9149380 0.93 TSHR (0.65) TSHRLTA4HCYP1A2CYP19A1CYP2C9
SCHEMBL4663093 0.93 TSHR (0.65) TSHRLTA4HCYP1A2CYP19A1CYP2C9
SCHEMBL1521996 0.93 TSHR (0.65) TSHRLTA4HCYP1A2CYP19A1CYP2C9
SCHEMBL255563 0.90 KMT2A (0.54) TSHRMAOBKMT2AGPBAR1CYSLTR1
Ammonia Solution, Strong SCHEMBL3575379 0.89 KMT2A (0.53) TSHRMAOBKMT2AGPBAR1CYSLTR1
Formaldehyde SCHEMBL27895643 0.88 TSHR (0.59) TSHRLTA4HMAOBKMT2ATHRB
SCHEMBL4397448 0.86 TSHR (0.63) TSHRLTA4HCYP1A2CYP19A1CYP2C9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 76 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12336981-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. (US) 2025-06-24 US disclosed
US-20230346753-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT VALO HEALTH, INC. 2023-11-02 US disclosed
US-20230346753-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT VALO HEALTH, INC. 2023-11-02 US disclosed
US-20230346753-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT VALO HEALTH, INC. 2023-11-02 US disclosed
EP-4249461-A1 PHENOL COMPOUND, ELECTROCONDUCTIVE PASTE COMPOSITION, METHOD FOR PRODUCING ELECTROCONDUCTIVE PASTE COMPOSITION, AND ELECTROCONDUCTIVE WIRING LINE AND PRODUCTION METHOD THEREFOR SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-09-27 EP disclosed
US-11664093-B2 Extrapolative prediction of enantioselectivity enabled by computer-driven workflow, new molecular representations and machine learning THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2023-05-30 US disclosed
US-11547701-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. (US) 2023-01-10 US disclosed
US-11547701-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. (US) 2023-01-10 US disclosed
US-20210244717-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT Valo Health, LLC 2021-08-12 US disclosed
US-20210214323-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR INHIBITION OF FASN FORMA THERAPEUTICS, INC. 2021-07-15 US disclosed
US-20110015401-A1 Metal-Catalyzed Carbon-Fluorine Bond Formation MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2011-01-20 US disclosed
US-20100304966-A1 Fungicidal Compounds, Method For the Production Thereof, And Use Thereof To Combat Damaging Fungi, And Agents Comprising The Same BASF SE (DE) 2010-12-02 US disclosed
US-20100004459-A1 2-PHENYLNICOTINIC ACID DERIVATIVE NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
US-20100004459-A1 2-PHENYLNICOTINIC ACID DERIVATIVE NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
EP-2128136-A1 2-PHENYLNICOTINIC ACID DERIVATIVE Nippon Zoki Pharmaceutical Co., Ltd. (JP) 2009-12-02 EP disclosed
US-20090060838-A1 SUBSTITUTED N-ARYL BENZAMIDES AND RELATED COMPOUNDS FOR TREATMENT OF AMYLOID DISEASES AND SYNUCLEINOPATHIES PROTEOTECH INC. 2009-03-05 US disclosed
EP-1824479-B1 PHENYLPIPERAZINE DERIVATIVES WITH A COMBINATION OF PARTIAL DOPAMINE-D2 RECEPTOR AGONISM AND SEROTONIN REUPTAKE INHIBITION SOLVAY PHARM BV (NL) 2008-11-05 EP disclosed
EP-1827427-B1 ARYLOXYETHYLAMINE DERIVATIVES WITH A COMBINATION OF PARTIAL DOPAMINE-D2 RECEPTOR AGONISM AND SEROTONIN REUPTAKE INHIBITION SOLVAY PHARM BV (NL) 2008-07-23 EP disclosed
EP-0119892-B1 HYDROXYL AMINE DERIVATIVES, THEIR PREPARATION, THEIR USE AS GROWTH FACTORS FOR VEGETABLES AND COMPOSITIONS THEREOF ROUSSEL-UCLAF (FR) 1986-08-13 EP disclosed
EP-0119892-A1 Hydroxyl amine derivatives, their preparation, their use as growth factors for vegetables and compositions thereof ROUSSEL-UCLAF (FR) 1984-09-26 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090060838-A1 SUBSTITUTED N-ARYL BENZAMIDES AND RELATED COMPOUNDS FOR TREATMENT OF AMYLOID DISEASES AND SYNUCLEINOPATHIES IAPP, SNCA, BACE2 TSHR 4003/4885LTA4H 4164/4885CYP1A2 1743/4885
US-12336981-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NNT TSHR 2887/4885LTA4H 2871/4885CYP1A2 1048/4885
US-20100004459-A1 2-PHENYLNICOTINIC ACID DERIVATIVE XDH, NUDT1, PNPO TSHR 3147/4885LTA4H 879/4885CYP1A2 379/4885
US-11547701-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 TSHR 2846/4885LTA4H 2984/4885CYP1A2 1024/4885
US-20110015401-A1 Metal-Catalyzed Carbon-Fluorine Bond Formation FLI1, VGF, GMFG TSHR 3434/4885LTA4H 3624/4885CYP1A2 1137/4885
US-20210214323-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR INHIBITION OF FASN FASN, FABP1, SCD TSHR 3727/4885LTA4H 888/4885CYP1A2 582/4885
US-20210244717-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 TSHR 2455/4885LTA4H 2761/4885CYP1A2 2270/4885
US-20230346753-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 TSHR 2455/4885LTA4H 2761/4885CYP1A2 2270/4885
US-20100304966-A1 Fungicidal Compounds, Method For the Production Thereof, And Use Thereof To Combat Damaging Fungi, And Agents Comprising The Same CYP51A1, ERG28, CAT TSHR 4645/4885LTA4H 1684/4885CYP1A2 22/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.