SCHEMBL73008

SCHEMBL73008

CCc1cccc(NCc2ccccc2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.53
HDAC4 P56524 1/20 0.52
MEF2D Q14814 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
FFAR1 O14842 1/20 0.51
METAP2 P50579 1/20 0.49
RAPGEF4 Q8WZA2 1/20 0.49
MEN1 O00255 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 1/20 0.49
TP53 P04637 1/20 0.48
PTPN1 P18031 1/20 0.47
PTPN11 Q06124 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 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
SCHEMBL6690772 0.86 HTT (0.57) HTTFFAR1METAP2MEN1CYP1A2
SCHEMBL28855181 0.82 FFAR1 (0.53) HTTFFAR1METAP2MEN1KMT2A
SCHEMBL15576268 0.82 HDAC4 (0.56) HTTHDAC4MEF2DFFAR1METAP2
SCHEMBL5144284 0.82 RAPGEF4 (0.53) HDAC4MEF2DSMN1; SMN2RAPGEF4MEN1
SCHEMBL15474335 0.82 MEN1 (0.66) HTTSMN1; SMN2FFAR1MEN1CYP1A2
SCHEMBL28636989 0.81 RAPGEF4 (0.46) HDAC4SMN1; SMN2RAPGEF4TP53HDAC11
SCHEMBL1681160 0.81 HTR6 (0.54) HTTFFAR1METAP2CYP1A2CYP2C9
SCHEMBL1520656 0.81 FFAR1 (0.55) HTTFFAR1METAP2PTPN1PTPN11
SCHEMBL259701 0.81 MAPT (0.65) HTTSMN1; SMN2MEN1CYP1A2CYP3A4
SCHEMBL27840632 0.80 HTT (0.49) HTTFFAR1METAP2MEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10435369-B2 Tricyclic sulfones as ROR gamma modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2019-10-08 US disclosed
WO-2018188990-A1 BIOTIN-CONJUGATED N-ACETYL GLYCOL SPLIT HEPARIN LEADIANT BIOSCIENCES SA IN LIQUIDAZIONE (CH) 2018-10-18 WO disclosed
EP-3388419-A1 GLI1 INHIBITORS AND USES THEREOF Leadiant Biosciences SA (CH) 2018-10-17 EP disclosed
EP-3388439-A1 BIOTIN-CONJUGATED N-ACETYL GLYCOL SPLIT HEPARIN Leadiant Biosciences SA (CH) 2018-10-17 EP disclosed
WO-2018177865-A1 COMPOUNDS FOR USE AS HEPARANASE INHIBITORS LEADIANT BIOSCIENCES SA IN LIQUIDAZIONE (CH) 2018-10-04 WO disclosed
WO-2018177857-A1 SYMMETRICAL 2-AMINOPHENYL-BENZAZOLYL-5-ACETATE COMPOUNDS AND THEIR USE AS ANTI-HEPARANASE LEADIANT BIOSCIENCES SA IN LIQUIDAZIONE (CH) 2018-10-04 WO disclosed
EP-3381906-A1 COMPOUNDS FOR USE AS HEPARANASE INHIBITORS Leadiant Biosciences SA (CH) 2018-10-03 EP disclosed
EP-3381907-A1 SYMMETRICAL 2-AMINOPHENYL-BENZAZOLYL-5-ACETATE COMPOUNDS AND THEIR USE AS ANTI-HEPARANASE Leadiant Biosciences SA (CH) 2018-10-03 EP disclosed
EP-2970303-B3 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES INC (US) 2018-08-01 EP disclosed
US-9987266-B2 Alkyl-amide-substituted pyridyl compounds useful as modulators of IL-12, IL-23 and/or IFNα responses BRISTOL-MYERS SQUIBB COMPANY (US) 2018-06-05 US disclosed
WO-2006116615-A1 BENZISOXAZOLE PIPERAZINE COMPOUNDS AND METHODS OF USE THEREOF HYPNION, INC. (US) 2006-11-02 WO disclosed
EP-1697349-A1 DOXEPIN ANALOGS AND METHODS OF USE THEREOF Hypnion, Inc. (US) 2006-09-06 EP disclosed
US-20050256165-A1 Doxepin analogs and methods of use thereof HYPNION, INC. 2005-11-17 US disclosed
WO-2005105110-A2 DOXEPIN ANALOGS AND METHODS OF USE THEREOF HYPNION, INC. (US) 2005-11-10 WO disclosed
WO-2005102335-A2 METHODS OF TREATING SLEEP DISORDERS HYPNION, INC. (US) 2005-11-03 WO disclosed
US-20050171160-A1 Doxepin analogs and methods of use thereof HYPNION, INC. 2005-08-04 US disclosed
WO-2005058880-A1 DOXEPIN ANALOGS AND METHODS OF USE THEREOF HYPNION, INC. (US) 2005-06-30 WO disclosed
US-20020156097-A1 Salts of quinoline derivatives as NK3 antagonists SMITHKLINE BEECHAM S.P.A. 2002-10-24 US disclosed
US-4732897-A 4-AZA-17-BETA-SUBSTITUTED-5-ALPHA ANDROSTAN-3-ONES FARMITALIA CARLO ERBA, S.P.A. (IT) 1988-03-22 US disclosed
EP-0200859-A1 Steroidal 5-alpha-reductase inhibitors, processes for their preparation and pharmaceutical compositions containing them FARMITALIA CARLO ERBA S.p.A. (IT) 1986-11-12 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 (4 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-10435369-B2 Tricyclic sulfones as ROR gamma modulators RORC, RORB, RORA HTT 4328/4885HDAC4 442/4885MEF2D 3372/4885
US-20050171160-A1 Doxepin analogs and methods of use thereof MME, DPEP1, CES2 HTT 1251/4885HDAC4 522/4885MEF2D 2594/4885
US-20050256165-A1 Doxepin analogs and methods of use thereof MME, DPEP1, CES2 HTT 1251/4885HDAC4 522/4885MEF2D 2594/4885
US-20020156097-A1 Salts of quinoline derivatives as NK3 antagonists KCNK3, KCNQ3, KCNN3 HTT 3681/4885HDAC4 1379/4885MEF2D 3761/4885

“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.