SCHEMBL625190

SCHEMBL625190

N#CCc1ccc(Cc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.57
KMT2A Q03164 1/20 0.46
LTA4H P09960 2/20 0.45
IDH1 O75874 1/20 0.43
ENPP2 Q13822 1/20 0.42
PLA2G10 O15496 1/20 0.42
PLA2G2A P14555 1/20 0.42
LMNA P02545 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CYP1A1 P04798 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP1B1 Q16678 1/20 0.41
KDM4E B2RXH2 2/20 0.41
SLC22A2 O15244 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAOB P27338 1/20 0.40
MMP3 P08254 1/20 0.40
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
FLT3 P36888 1/20 0.39

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
SCHEMBL27871594 0.90 ENPP2 (0.48) CALM1KMT2AENPP2LMNAALDH1A1
SCHEMBL37831 0.90
SCHEMBL31402005 0.90
Benzene SCHEMBL7517467 0.90 ENPP2 (0.48) CALM1KMT2AENPP2LMNAALDH1A1
Benzene SCHEMBL28804146 0.90 ENPP2 (0.48) CALM1KMT2AENPP2LMNAALDH1A1
SCHEMBL1332411 0.90
Water SCHEMBL27932616 0.90 ENPP2 (0.48) CALM1KMT2AENPP2LMNAALDH1A1
SCHEMBL1921814 0.90
SCHEMBL8763328 0.90 KMT2A (0.42) CALM1KMT2AENPP2LMNAALDH1A1
SCHEMBL1331365 0.90

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9156788-B2 TRPV3 modulators ABBVIE INC. (US) 2015-10-13 US disclosed
CN-102264704-B Isoquinoline derivative TAISHO PHARMACEUTICAL CO LTD 2014-06-04 CN disclosed
EP-2603490-A1 NOVEL TRPV3 MODULATORS AbbVie Inc. (US) 2013-06-19 EP disclosed
US-20130150409-A1 NOVEL TRPV3 MODULATORS ABBVIE INC. (US) 2013-06-13 US disclosed
US-8461329-B2 Isoquinoline derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2013-06-11 US disclosed
CN-103140476-A Novel trpv3 modulators ABBOTT LAB 2013-06-05 CN disclosed
WO-2012019315-A1 NOVEL TRPV3 MODULATORS ABBOTT LABORATORIES (US) 2012-02-16 WO disclosed
CN-102264704-A Isoquinoline derivative 2011-11-30 CN disclosed
US-20110288293-A1 ISOQUINOLINE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-11-24 US disclosed
EP-2377851-A1 ISOQUINOLINE DERIVATIVE Taisho Pharmaceutical Co., Ltd. (JP) 2011-10-19 EP disclosed
EP-0946495-A4 PHENYL ACETAMIDES AS SPLA2 INHIBITORS LILLY CO ELI (US) 2000-04-12 EP disclosed
EP-0946495-A1 PHENYL ACETAMIDES AS SPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 1999-10-06 EP disclosed
WO-1998024756-A1 PHENYL ACETAMIDES AS SPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 1998-06-11 WO disclosed
CN-1036919-C Pyrazole condensed ring derivatives, method of manufacturing the same, and androgen inhibitor OTSUKA PHARMA CO LTD (JP) 1998-01-07 CN disclosed
US-5516777-A PROSTATE CANCER THERAPY OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-05-14 US disclosed
US-5409928-A Prostate diseases, alopecia OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-04-25 US disclosed
CN-1089609-A Pyrazole-fused ring derivatives, its manufacture method and male hormone inhibitor OTSUKA PHARMA CO LTD (JP) 1994-07-20 CN disclosed
EP-0594149-A2 Condensed pyrazole derivatives, method of manufacturing the same, and androgen inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-04-27 EP disclosed
US-4874763-A ANTIARRHYTHMIA AGENTS ROEHM GMBH CHEMISCHE FABRIK (DE) 1989-10-17 US disclosed
EP-0318795-A2 Pharmaceutically active pteridin derivatives Röhm GmbH (DE) 1989-06-07 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 (2 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-20110288293-A1 ISOQUINOLINE DERIVATIVE HRH1, HRH2, HRH4 CALM1 2122/4885KMT2A 1467/4885LTA4H 44/4885
US-20130150409-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 CALM1 753/4885KMT2A 4568/4885LTA4H 468/4885

“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.