SCHEMBL2214686

SCHEMBL2214686

CCCc1nc(C(=O)O)cc2c3ccccc3n(C)c12

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.45
HPGD P15428 5/20 0.43
HSD17B10 Q99714 3/20 0.43
ALDH1A1 P00352 4/20 0.43
LMNA P02545 2/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
EGFR P00533 1/20 0.39
PTGER4 P35408 1/20 0.39
MAPT P10636 1/20 0.39
GFER P55789 1/20 0.39
MCL1 Q07820 1/20 0.38

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
SCHEMBL2216624 0.94 HSD17B10 (0.43) KDM4EHPGDHSD17B10ALDH1A1
SCHEMBL29217020 0.91 KDM4E (0.46) KDM4EHPGDHSD17B10ALDH1A1LMNA
SCHEMBL2214911 0.88 ALDH1A1 (0.44) KDM4EHPGDALDH1A1LMNANPSR1
SCHEMBL2214020 0.85 CNR2 (0.52) KDM4EHPGDHSD17B10ALDH1A1TSHR
SCHEMBL2212262 0.84 PDE4A (0.48) KDM4EHPGDHSD17B10ALDH1A1GAA
SCHEMBL2214021 0.84 PLA2G2A (0.43) HPGDALDH1A1
SCHEMBL2216828 0.82 PGR (0.46) KDM4EHPGDALDH1A1LMNA
SCHEMBL2214017 0.82 POLB (0.40) KDM4EHPGDALDH1A1TSHRNPSR1
SCHEMBL2218077 0.81 KDM4E (0.49) KDM4EHPGDHSD17B10ALDH1A1LMNA
SCHEMBL2215730 0.81 ALDH1A1 (0.43) KDM4EHPGDALDH1A1LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1634881-B1 HARMINE DERIVATIVES, INTERMEDIATES USED IN THEIR PREPARATION, PREPARATION PROCESSES AND USE THEREOF XINJIANG HUASHIDAN PHARMACEUTICAL RES CO LTD (CN) 2011-07-27 EP claimed
US-20090227619-A1 Harmine derivatives, intermediates used in their preparations, preparation processes and use therefo XINJIANG HUASHIDAN PHARMACEUTICAL RESEARCH CO., LTD. (CN) 2009-09-10 US claimed
US-8772311-B2 Harmine derivatives, intermediates used in their preparations, preparation processes and use thereof XINJIANG HUASHIDAN PHARMACEUTICAL RESEARCH CO., LTD. (CN) 2014-07-08 US disclosed
EP-1634881-B1 HARMINE DERIVATIVES, INTERMEDIATES USED IN THEIR PREPARATION, PREPARATION PROCESSES AND USE THEREOF XINJIANG HUASHIDAN PHARMACEUTICAL RES CO LTD (CN) 2011-07-27 EP disclosed
US-20090227619-A1 Harmine derivatives, intermediates used in their preparations, preparation processes and use therefo XINJIANG HUASHIDAN PHARMACEUTICAL RESEARCH CO., LTD. (CN) 2009-09-10 US disclosed
EP-1634881-A1 HARMINE DERIVATIVES, INTERMEDIATES USED IN THEIR PREPARATION, PREPARATION PROCESSES AND USE THEREOF Xinjiang Huashidan Pharmaceutical Research Co., Ltd. (CN) 2006-03-15 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 (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-20090227619-A1 Harmine derivatives, intermediates used in their preparations, preparation processes and use therefo TPH1, HTR1F, TPH2 KDM4E 2869/4885HPGD 822/4885HSD17B10 1360/4885

“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.