SCHEMBL2455779

SCHEMBL2455779

CCc1ccc2c(-c3cccc(Br)c3)nc(=O)n(CC)c2n1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.76
HSD17B10 Q99714 2/20 0.76
KDM4E B2RXH2 2/20 0.76
CYP1A2 P05177 1/20 0.76
CYP3A4 P08684 1/20 0.76
CYP2C9 P11712 1/20 0.76
TSHR P16473 1/20 0.76
APOBEC3G Q9HC16 1/20 0.39
ADORA1 P30542 2/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
CFTR P13569 1/20 0.38
MAPT P10636 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
THRB P10828 1/20 0.37
POLB P06746 1/20 0.36
ADORA2A P29274 2/20 0.35

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
SCHEMBL8196979 0.87 KDM4E (0.77) ALDH1A1HSD17B10KDM4ECYP1A2CYP3A4
SCHEMBL8192931 0.87 ALDH1A1 (0.57) ALDH1A1HSD17B10KDM4ECYP1A2CYP3A4
SCHEMBL29372580 0.86 ALDH1A1 (1.00) ALDH1A1HSD17B10KDM4ECYP1A2CYP3A4
SCHEMBL8313781 0.86 KDM4E (0.76) ALDH1A1HSD17B10KDM4ECYP1A2CYP3A4
SCHEMBL157252 0.86 ALDH1A1 (1.00) ALDH1A1HSD17B10KDM4ECYP1A2CYP3A4
SCHEMBL8192928 0.85 ALDH1A1 (0.74) ALDH1A1HSD17B10KDM4ECYP1A2CYP3A4
SCHEMBL8193398 0.83 ALDH1A1 (0.53) ALDH1A1HSD17B10KDM4ECYP1A2CYP3A4
SCHEMBL8224986 0.81 KDM4E (0.69) ALDH1A1HSD17B10KDM4ECYP1A2CYP3A4
SCHEMBL8193619 0.81 ALDH1A1 (0.51) ALDH1A1HSD17B10KDM4ECYP1A2CYP3A4
SCHEMBL8191842 0.80 ALDH1A1 (0.83) ALDH1A1HSD17B10KDM4ECYP1A2CYP3A4

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6136810-A DRUGS AS ENZYME INHIBITORS OF PHOSPHODIESTERASE YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2000-10-24 US claimed
EP-0885894-A1 PYRIDO [2,3-D] PYRIMIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1998-12-23 EP claimed
WO-2011146819-A2 METHODS AND COMPOSITIONS FOR TREATMENT NF-κB-MEDIATED AND α7 INTEGRIN-SUPPRESSED DISEASES DMD THERAPIES, LLC (US) 2011-11-24 WO disclosed
US-20110224128-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF MUSCULAR DYSTROPHY WHALEN ANNE 2011-09-15 US disclosed
US-20060083714-A1 Combination of a pde iv inhibitor and a tnf-alpha antagonist PHARMACIA CORPORATION 2006-04-20 US disclosed
US-6136810-A DRUGS AS ENZYME INHIBITORS OF PHOSPHODIESTERASE YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2000-10-24 US disclosed
EP-0885894-A1 PYRIDO [2,3-D] PYRIMIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1998-12-23 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-20110224128-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF MUSCULAR DYSTROPHY PYGM, TNNC1, MYOF ALDH1A1 3179/4885HSD17B10 904/4885KDM4E 2360/4885
US-20060083714-A1 Combination of a pde iv inhibitor and a tnf-alpha antagonist TNF, PDE4A, PDE3B ALDH1A1 1288/4885HSD17B10 768/4885KDM4E 1546/4885

“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.