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SCHEMBL2214017

SCHEMBL2214017

CCCc1nc(C(=O)O)cc2c3ccccc3n(C(CC)c3ccccc3)c12

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ KDM4C Q9H3R0 1/20 0.35
▸ APLNR P35414 2/20 0.33
▸ TACR3 P29371 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ ITK Q08881 2/20 0.33
▸ PTGER4 P35408 2/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ PLA2G4A P47712 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ XBP1 P17861 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
SCHEMBL2215959 0.91 POLB (0.41) POLBKDM4EALDH1A1HPGDKDM4C
SCHEMBL2215670 0.89 CNR2 (0.43) POLBKDM4EALDH1A1HPGDPTGER4
SCHEMBL2213028 0.86 POLB (0.42) POLBALDH1A1HPGDKDM4CITK
SCHEMBL2214686 0.82 KDM4E (0.45) KDM4EALDH1A1HPGDNPSR1PTGER4
SCHEMBL2214911 0.80 ALDH1A1 (0.44) POLBKDM4EALDH1A1HPGDNPSR1
SCHEMBL2212262 0.77 PDE4A (0.48) KDM4EALDH1A1HPGD
SCHEMBL2216624 0.77 HSD17B10 (0.43) KDM4EALDH1A1HPGDXBP1
SCHEMBL2215825 0.77 POLB (0.43) POLBKDM4EALDH1A1HPGDKDM4C
SCHEMBL2216277 0.76 CNR2 (0.43) POLBKDM4EALDH1A1HPGDPTGER4
SCHEMBL2214021 0.74 PLA2G2A (0.43) ALDH1A1HPGD

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 POLB 812/4885KDM4E 2869/4885ALDH1A1 324/4885

“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.