SCHEMBL763168

SCHEMBL763168

CCCn1c(=O)[nH]c2ccccc21

nearest known ligand 0.81

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.74
MEN1 O00255 1/20 0.74
KMT2A Q03164 1/20 0.74
RAB9A P51151 1/20 0.67
LMNA P02545 3/20 0.64
HPGD P15428 2/20 0.64
HTT P42858 2/20 0.64
ALDH1A1 P00352 1/20 0.64
MAPT P10636 1/20 0.64
TSHR P16473 1/20 0.64
MAPK1 P28482 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
POLB P06746 1/20 0.59
HTR7 P34969 5/20 0.55
ADORA3 P0DMS8 1/20 0.51
ADORA2B P29275 1/20 0.51
ADORA1 P30542 1/20 0.51
P2RX7 Q99572 1/20 0.51

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
SCHEMBL29695523 1.00 CYP1A2 (0.74) CYP1A2MEN1KMT2ARAB9ALMNA
SCHEMBL6902600 0.90 RAB9A (0.72) CYP1A2MEN1KMT2ARAB9ALMNA
SCHEMBL1838349 0.88 RAB9A (0.70) CYP1A2MEN1KMT2ARAB9ALMNA
SCHEMBL25315525 0.87 RAB9A (0.68) CYP1A2MEN1KMT2ARAB9ALMNA
SCHEMBL11139092 0.87 RAB9A (0.68) CYP1A2MEN1KMT2ARAB9ALMNA
SCHEMBL8132581 0.87 RAB9A (0.68) CYP1A2MEN1KMT2ARAB9ALMNA
SCHEMBL30947438 0.85 LMNA (0.78) CYP1A2MEN1KMT2ARAB9ALMNA
SCHEMBL29358626 0.85 CYP1A2 (1.00) CYP1A2MEN1KMT2ARAB9ALMNA
SCHEMBL612643 0.85 CYP1A2 (1.00) CYP1A2MEN1KMT2ARAB9ALMNA
SCHEMBL15255347 0.83 RAB9A (0.67) CYP1A2MEN1KMT2ARAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004039409-A2 COMPOSITION COMPRISING ACTIVATORS OF IK POTASSIUM CHANNELS AND CALCINEURIN ANTAGONISTS AND USE THEREOF SWITCH BIOTECH AG (DE) 2004-05-13 WO claimed
WO-2022198196-A1 INHIBITORS OF GLYCOGEN SYNTHASE 1 (GYS1) AND METHODS OF USE THEREOF MAZE THERAPEUTICS, INC. (US) 2022-09-22 WO disclosed
EP-3345915-A1 5-POSITION MODIFIED PYRAMIDINES AND THEIR USE Somalogic, Inc. (US) 2018-07-11 EP disclosed
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC 2017-06-22 US disclosed
WO-2015065336-A1 RESPIRATORY SYNCYTIAL VIRUS INHIBITORS MEDIVIR AB (SE) 2015-05-07 WO disclosed
WO-2015065336-A1 RESPIRATORY SYNCYTIAL VIRUS INHIBITORS MEDIVIR AB (SE) 2015-05-07 WO disclosed
US-20140058076-A1 5-POSITION MODIFIED PYRIMIDINES AND THEIR USE SOMALOGIC OPERATING CO. INC. 2014-02-27 US disclosed
US-20140058076-A1 5-POSITION MODIFIED PYRIMIDINES AND THEIR USE SOMALOGIC OPERATING CO. INC. 2014-02-27 US disclosed
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 US disclosed
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 US disclosed
EP-1732887-A1 1-(1H-INDOL-1-YL)-3-(4-METHYLPIPERAZIN-1-YL)-1-PHENYL PROPAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF THE NOREPINEPHRINE (NE) AND THE SEROTONINE (5-HT) ACTIVITY AND THE MONOAMINE REUPTAKE FOR THE TREATMENT OF VASOMOTOR SYMPTOMS (VMS) Wyeth (US) 2006-12-20 EP disclosed
EP-1322621-B1 NEW BENZIMIDAZOLONE DERIVATIVES DISPLAYING AFFINITY AT THE SEROTONIN AND DOPAMINE RECEPTORS BOEHRINGER INGELHEIM PHARMA (DE) 2006-10-04 EP disclosed
US-20060063759-A1 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY 2006-03-23 US disclosed
WO-2005097744-A1 1-(1H-INDOL-1-YL)-3-(4-METHYLPIPERAZIN-1-YL)-1-PHENYL PROPAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF THE NOREPINEPHRINE (NE) AND THE SEROTONINE (5-HT) ACTIVITY AND THE MONOAMINE REUPTAKE FOR THE TREATMENT OF VASOMOTOR SYMPTOMS (VMS) WYETH (US) 2005-10-20 WO disclosed
US-20050222148-A1 Phenylaminopropanol derivatives and methods of their use WYETH (US) 2005-10-06 US disclosed
WO-2004039409-A2 COMPOSITION COMPRISING ACTIVATORS OF IK POTASSIUM CHANNELS AND CALCINEURIN ANTAGONISTS AND USE THEREOF SWITCH BIOTECH AG (DE) 2004-05-13 WO disclosed
EP-1322621-A1 NEW BENZIMIDAZOLONE DERIVATIVES DISPLAYING AFFINITY AT THE SEROTONIN AND DOPAMINE RECEPTORS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2003-07-02 EP disclosed
US-6586435-B2 Useful in treatment of anxiety disorders, affective disorders such as depression, psychosis and schizophrenia, Parkinson's disease BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-07-01 US disclosed
US-20020103208-A1 Benzimidazolone derivatives displaying affinity at the serotonin and dopamine receptors BAUSCH HEALTH POLAND SPOLKA Z OGRANICZONA ODPOWIEDZIALNOSCIA (F/K/A VALEANT PHARMA POLAND SPOLKA Z OGRANICZONA ODPOWIEDZIALNOSCIA) (PL) 2002-08-01 US disclosed
WO-2002024662-A1 NEW BENZIMIDAZOLONE DERIVATIVES DISPLAYING AFFINITY AT THE SEROTONIN AND DOPAMINE RECEPTORS BOEHRINGER INGELHEIM PHARMA GMBH & KO. KG (DE) 2002-03-28 WO 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 (5 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-20020103208-A1 Benzimidazolone derivatives displaying affinity at the serotonin and dopamine receptors OPRM1, HTR2C, HTR1D CYP1A2 517/4885MEN1 3095/4885KMT2A 3473/4885
US-20140058076-A1 5-POSITION MODIFIED PYRIMIDINES AND THEIR USE TYMP, NT5C3B, DUT CYP1A2 4125/4885MEN1 3824/4885KMT2A 1931/4885
US-20050222148-A1 Phenylaminopropanol derivatives and methods of their use PAH, PNMT, COMT CYP1A2 250/4885MEN1 2681/4885KMT2A 1864/4885
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE MAPK6, MAP3K6, MAPK4 CYP1A2 4411/4885MEN1 4080/4885KMT2A 3544/4885
US-20060063759-A1 Tricyclic steroid hormone nuclear receptor modulators NR5A1, NR3C2, NR3C1 CYP1A2 282/4885MEN1 2716/4885KMT2A 2288/4885

“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.