SCHEMBL2216044

SCHEMBL2216044

Cc1nc(C(=O)O)cc2c3ccccc3n(Cc3c(F)c(F)c(F)c(F)c3F)c12

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
PTGER4 P35408 5/20 0.41
GAA P10253 2/20 0.37
AKR1A1 P14550 1/20 0.37
AKR1B1 P15121 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
FDPS P14324 1/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
KDM4E B2RXH2 2/20 0.37
HSD17B10 Q99714 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL2214397 0.87 CNR2 (0.48) ALDH1A1MEN1KMT2APTGER4GAA
SCHEMBL2215283 0.86 CYP19A1 (0.49) ALDH1A1MEN1KMT2ASMN1; SMN2GAA
SCHEMBL29217007 0.85 MEN1 (0.50) ALDH1A1MEN1KMT2ASMN1; SMN2GAA
SCHEMBL2216231 0.83 PTGER4 (0.54) ALDH1A1MEN1KMT2ASMN1; SMN2PTGER4
SCHEMBL29217034 0.82 CCR2 (0.50) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL2215558 0.79 CNR2 (0.50) ALDH1A1HPGDKDM4E
SCHEMBL2220108 0.79 MEN1 (0.45) ALDH1A1MEN1KMT2ASMN1; SMN2PTGER4
SCHEMBL2214890 0.78 CNR2 (0.46) ALDH1A1MEN1KMT2ASMN1; SMN2POLB
SCHEMBL2213030 0.77 SIGMAR1 (0.45) PTGER4
SCHEMBL27899832 0.77 CNR2 (0.53)

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
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
CN-111012779-A Application of harmine derivative in preparation of antibacterial drugs 新疆华世丹药物研究有限责任公司 2020-04-17 CN disclosed
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 ALDH1A1 324/4885MEN1 1080/4885KMT2A 1851/4885

“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.