SCHEMBL4058588

SCHEMBL4058588

NC(=O)C1=NNc2ccccc2C=C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 2/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
SCN4A P35499 1/20 0.37
SCN5A Q14524 1/20 0.37
SCN9A Q15858 1/20 0.37
P2RX4 Q99571 2/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 1/20 0.32
CYP3A4 P08684 1/20 0.32
PARP1 P09874 1/20 0.32
CYP2C19 P33261 1/20 0.32
RECQL P46063 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL1226277 0.84 MAPT (0.42) MAPTGAATSHRLMNAMAPK1
Citric Acid SCHEMBL6188809 0.84 ALDH1A1 (0.37) MAPTLMNA
SCHEMBL2979173 0.83 MAPT (0.41) MAPTGAATSHRLMNAMAPK1
SCHEMBL7341516 0.83 GAA (0.41) MAPTGAATSHRLMNAMAPK1
SCHEMBL7026732 0.83 MAPT (0.41) MAPTGAATSHRLMNAMAPK1
SCHEMBL15865155 0.82 MAPT (0.37) MAPTGAATSHRLMNAMAPK1
SCHEMBL4915107 0.82 GAA (0.37) MAPTGAAMAPK1RAB9ASMN1; SMN2
SCHEMBL2930324 0.80 MAPT (0.38) MAPTGAAP2RX4RAB9ASMN1; SMN2
SCHEMBL3100030 0.80 ALDH1A1 (0.41) MAPTGAATSHRLMNAP2RX4
SCHEMBL7407772 0.80 MAPT (0.35) MAPTGAAP2RX4RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3304080-A1 METHOD FOR STRATIFICATION OF MELANOMA PATIENTS BY DETERMINATION OF OXYGEN CONSUMPTION, PPARGC1A, PPARGC1B AND MITF LEVELS Bayer Pharma Aktiengesellschaft (DE) 2018-04-11 EP claimed
WO-2017005711-A1 PHOSPHOROUS-AND SULFUR-SUBSTITUTED BENZODIAZEPINE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-01-12 WO claimed
WO-2016189042-A1 METHOD FOR STRATIFICATION OF MELANOMA PATIENTS BY DETERMINATION OF OXYGEN CONSUMPTION, PPARGC1A, PPARGC1B AND MITF LEVELS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-12-01 WO claimed
EP-2958909-A1 BICYCLO 2,3-BENZODIAZEPINES AND SPIROCYCLICALLY SUBSTITUTED 2,3-BENZODIAZEPINES Bayer Pharma Aktiengesellschaft (DE) 2015-12-30 EP claimed
WO-2015121226-A1 6-SUBSTITUTED 2,3-BENZODIAZEPINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-08-20 WO claimed
EP-2885286-A1 2,3-BENZODIAZEPINES Bayer Pharma Aktiengesellschaft (DE) 2015-06-24 EP claimed
WO-2014128067-A1 BICYCLO 2,3-BENZODIAZEPINES AND SPIROCYCLICALLY SUBSTITUTED 2,3-BENZODIAZEPINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-08-28 WO claimed
WO-2014026997-A1 2,3-BENZODIAZEPINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-02-20 WO claimed
CN-1273469-C Tricyclic diazepines as tocolytic oxytocin receptor antagonists WYETH CORP (US) 2006-09-06 CN claimed
EP-1377586-B1 TRICYCLIC DIAZEPINES AS TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS WYETH CORP (US) 2006-03-22 EP claimed
US-20030027815-A1 Novel cyclohexylphenyl carboxamides tocolytic oxytocin receptor antagonists WYETH 2003-02-06 US claimed
US-20030004159-A1 Novel cyclohexenyl phenyl carboxamides tocolytic oxytocin receptor antagonists WYETH 2003-01-02 US claimed
US-20020183311-A1 Novel hydroxy cyclohexenyl phenyl carboxamides tocolytic oxytocin receptor antagonists WYETH 2002-12-05 US claimed
WO-2002085907-A1 NOVEL 3-C(O)R SUBSTITUTED 10-CYCLOHEXYLBENZOYL PYRROLOBENZODIAZEPINES; TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS WYETH (US) 2002-10-31 WO claimed
WO-2002083684-A1 NOVEL PYRIDINE- AND CYCLOHEXENYL-COMPRISING PYRROLOBENZODIAZEPI NE-CARBOXAMIDES AND DERIVATIVES THEREOF; TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS WYETH (US) 2002-10-24 WO claimed
WO-2002083678-A1 TRICYCLIC DIAZEPINES AS TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS WYETH (US) 2002-10-24 WO claimed
WO-2002083683-A1 NOVEL TRICYCLIC PYRIDYL BENZAZEPINE CARBOXAMIDES AND DERIVATIVES THEREOF TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS WYETH (US) 2002-10-24 WO claimed
WO-2002083680-A1 NOVEL TRICYCLIC HYDROXY CARBOXAMIDES AND DERIVATIVES THEREOF TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS WYETH (US) 2002-10-24 WO claimed
WO-2002083679-A1 NOVEL HYDROXY CYCLOHEXENYL PHENYL CARBOXAMIDES TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS WYETH (US) 2002-10-24 WO claimed
WO-2002083682-A1 NOVEL 10-CYCLOHEXENYL-PHENYL PYRROLOBENZODIAZEPINE-3-CARBOXAMIDES AND DERIVATIVES THEREOF; TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS WYETH (US) 2002-10-24 WO claimed

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

For each of this compound's patents that has machine-readable text (3 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-20020183311-A1 Novel hydroxy cyclohexenyl phenyl carboxamides tocolytic oxytocin receptor antagonists OXTR, HTR1E, HTR3E MAPT 4409/4885GAA 4877/4885TSHR 211/4885
US-20030027815-A1 Novel cyclohexylphenyl carboxamides tocolytic oxytocin receptor antagonists OXTR, OPRL1, CRHR2 MAPT 3130/4885GAA 4852/4885TSHR 142/4885
US-20030004159-A1 Novel cyclohexenyl phenyl carboxamides tocolytic oxytocin receptor antagonists OXTR, OPRL1, HCRTR2 MAPT 2513/4885GAA 4788/4885TSHR 156/4885

“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.