SCHEMBL2214945

SCHEMBL2214945

CCn1c2ccccc2c2cc(C(=O)O)nc(-c3ccccc3)c21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
HPGD P15428 3/20 0.50
KDM4E B2RXH2 2/20 0.50
POLB P06746 1/20 0.50
NPY5R Q15761 1/20 0.46
PTGES O14684 1/20 0.46
PTGER4 P35408 7/20 0.45
RCE1 Q9Y256 1/20 0.45
MAPT P10636 3/20 0.45
HTT P42858 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
GAA P10253 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
PKM P14618 1/20 0.43
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL27899814 0.92 PTGER1 (0.46) ALDH1A1HPGDKDM4EPOLBNPY5R
SCHEMBL2214644 0.88 PTGER4 (0.56) ALDH1A1HPGDKDM4EPOLBNPY5R
SCHEMBL28127171 0.87 KDM4E (0.52) ALDH1A1HPGDKDM4ENPY5RPTGER4
SCHEMBL2216231 0.85 PTGER4 (0.54) ALDH1A1HPGDKDM4EPOLBPTGER4
SCHEMBL2214060 0.84 ALDH1A1 (0.48) ALDH1A1HPGDKDM4EPOLBNPY5R
SCHEMBL2214815 0.83 KDM4E (0.47) ALDH1A1HPGDKDM4EKMT2AGAA
SCHEMBL27899797 0.82 MCL1 (0.49) MEN1KMT2ALMNA
SCHEMBL2214911 0.81 ALDH1A1 (0.44) ALDH1A1HPGDKDM4EPOLBNPY5R
SCHEMBL27899850 0.81 PTGER4 (0.44) ALDH1A1HPGDKDM4EPOLBPTGES
SCHEMBL27917617 0.81 CNR2 (0.43) ALDH1A1LMNA

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 11 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-109134460-B Synthesis method of beta-carboline compound 南开大学 2021-04-06 CN disclosed
CN-102952151-B 3 double β carbolines alkaloid compounds, its preparation method and its pharmaceutical composition and purposes 新疆华世丹药物研究有限责任公司 2017-07-28 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
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
CN-102952151-A 3-position bis-beta-carboline alkali compound, and preparation method, pharmaceutical composition and application thereof XINJIANG HUASHIDAN PHARMACEUTICAL RES CO LTD 2013-03-06 CN 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
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 324/4885HPGD 822/4885KDM4E 2869/4885

“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.