SCHEMBL11977071

SCHEMBL11977071

O=C(O)Cc1ccc2ccn(CCCc3ccccc3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 5/20 0.46
HSD17B10 Q99714 4/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 3/20 0.46
KDM4E B2RXH2 2/20 0.46
KMO O15229 1/20 0.46
PPARG P37231 1/20 0.44
PARK7 Q99497 1/20 0.43
CDK4 P11802 3/20 0.43
CCND1 P24385 3/20 0.43
KMT2A Q03164 1/20 0.42
NOS1 P29475 1/20 0.42
ADA P00813 2/20 0.41
MAPT P10636 1/20 0.41
AKR1B1 P15121 1/20 0.41

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
SCHEMBL8387304 0.83 HDAC8 (0.55) HSD17B10ALDH1A1HPGDKDM4EKMO
SCHEMBL27324368 0.82 NOS1 (0.52) HSD17B10ALDH1A1HPGDKDM4EKMO
SCHEMBL1608442 0.79 HDAC8 (0.55)
SCHEMBL11977343 0.77 HDAC8 (0.52) HSD17B10ALDH1A1HPGDKDM4EKMT2A
SCHEMBL11976844 0.77 HTR6 (0.56) HSD17B10ALDH1A1HPGDKDM4EKMO
SCHEMBL11976532 0.77 HTR6 (0.53) PPARG
SCHEMBL5667825 0.77 CDK4 (0.72) HSD17B10CDK4CCND1KMT2A
SCHEMBL8685703 0.76 NOS1 (0.51) HSD17B10ALDH1A1HPGDKDM4EKMO
SCHEMBL8602713 0.76 SLC22A12 (0.63) HSD17B10ALDH1A1HPGDKDM4EPPARG
SCHEMBL11975783 0.74 EPHX2 (0.47) ALDH1A1KDM4EPPARG

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-9359350-B2 Ring-fused compound SATO PHARMACEUTICAL CO., LTD. (JP) 2016-06-07 US disclosed
US-9359350-B2 Ring-fused compound SATO PHARMACEUTICAL CO., LTD. (JP) 2016-06-07 US disclosed
US-20150203490-A1 RING-FUSED COMPOUND SATO PHARMACEUTICAL CO., LTD. (JP) 2015-07-23 US disclosed
US-20150203490-A1 RING-FUSED COMPOUND SATO PHARMACEUTICAL CO., LTD. (JP) 2015-07-23 US disclosed
US-8987473-B2 Ring-fused compound SATO PHARMACEUTICAL CO., LTD. (JP) 2015-03-24 US disclosed
US-8987473-B2 Ring-fused compound SATO PHARMACEUTICAL CO., LTD. (JP) 2015-03-24 US disclosed
WO-2012102405-A1 RING-FUSED COMPOUND 佐藤製薬株式会社 (JP) 2012-08-02 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 (1 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-20150203490-A1 RING-FUSED COMPOUND URB2, RCOR1, RCC2 MCL1 2189/4885HSD17B10 2507/4885ALDH1A1 487/4885

“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.