SCHEMBL17414568

SCHEMBL17414568

Cc1ccc(-n2c(-c3ccc(C#N)cc3)nc(C(=O)O)c2C)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.59
ALDH1A1 P00352 4/20 0.43
CYP2A6 P11509 1/20 0.43
AR P10275 1/20 0.42
NOTUM Q6P988 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
GAA P10253 1/20 0.41
ATM Q13315 1/20 0.40
SLC22A12 Q96S37 1/20 0.40
GRM2 Q14416 1/20 0.39
TP53 P04637 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
PIN1 Q13526 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
LMNA P02545 1/20 0.39
USP14 P54578 1/20 0.39

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
SCHEMBL17396132 0.84 KDM1A (0.49) KDM1AALDH1A1CYP2A6MEN1KMT2A
SCHEMBL17414567 0.84 KDM1A (0.54) KDM1AALDH1A1KDM4EHPGDGAA
SCHEMBL24137357 0.82 KDM1A (0.74) KDM1AALDH1A1HPGDTP53USP14
SCHEMBL26931756 0.78 SIRT2 (0.58) KDM1AALDH1A1KDM4EHPGDGAA
SCHEMBL29829098 0.78 SIRT2 (0.58) KDM1AALDH1A1KDM4EHPGDGAA
SCHEMBL5782959 0.76 MDM2 (0.54) ALDH1A1NOTUMMEN1KMT2APIN1
SCHEMBL17396144 0.75 KDM1A (1.00) KDM1A
SCHEMBL29829457 0.71 SIRT2 (0.53) KDM1AHPGDTP53
SCHEMBL29829285 0.71 SIRT2 (0.60) KDM1AALDH1A1KDM4EHPGDTP53
SCHEMBL29829238 0.71 SIRT2 (0.53) KDM1AALDH1A1HPGDTP53LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3164509-B1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 CELGENE QUANTICEL RES INC (US) 2021-12-29 EP disclosed
EP-3164509-B1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 CELGENE QUANTICEL RES INC (US) 2021-12-29 EP disclosed
CN-106604997-B Inhibitors of lysine-specific demethylase-1 赛尔基因昆蒂赛尔研究公司 2021-02-19 CN disclosed
US-10626104-B2 Inhibitors of lysine specific demethylase-1 CELGENE QUANTICEL RESEARCH, INC. (US) 2020-04-21 US disclosed
US-10626103-B2 Inhibitor of lysine specific demethylase-1 CELGENE QUANTICEL RESEARCH, INC. (US) 2020-04-21 US disclosed
US-10626103-B2 Inhibitor of lysine specific demethylase-1 CELGENE QUANTICEL RESEARCH, INC. (US) 2020-04-21 US disclosed
US-10626104-B2 Inhibitors of lysine specific demethylase-1 CELGENE QUANTICEL RESEARCH, INC. (US) 2020-04-21 US disclosed
US-10414750-B2 Inhibitors of lysine specific demethylase-1 CELGENE QUANTICEL RESEARCH, INC. (US) 2019-09-17 US disclosed
US-10414750-B2 Inhibitors of lysine specific demethylase-1 CELGENE QUANTICEL RESEARCH, INC. (US) 2019-09-17 US disclosed
US-20190194161-A1 INHIBITOR OF LYSINE SPECIFIC DEMETHYLASE-1 CELGENE QUANTICEL RESEARCH, INC. (US) 2019-06-27 US disclosed
US-20190194161-A1 INHIBITOR OF LYSINE SPECIFIC DEMETHYLASE-1 CELGENE QUANTICEL RESEARCH, INC. (US) 2019-06-27 US disclosed
US-20190194162-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 CELGENE QUANTICEL RESEARCH, INC. (US) 2019-06-27 US disclosed
US-20190194162-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 CELGENE QUANTICEL RESEARCH, INC. (US) 2019-06-27 US disclosed
US-20180265491-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 CELGENE QUANTICEL RES INC (US) 2018-09-20 US disclosed
WO-2016004105-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 Quanticel Pharmaceuticals, Inc. (US) 2016-01-07 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 (6 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-10626104-B2 Inhibitors of lysine specific demethylase-1 KDM1B, KDM1A, KDM3A KDM1A 2/4885ALDH1A1 235/4885CYP2A6 2197/4885
US-10414750-B2 Inhibitors of lysine specific demethylase-1 KDM1B, KDM1A, KDM3A KDM1A 2/4885ALDH1A1 235/4885CYP2A6 2197/4885
US-10626103-B2 Inhibitor of lysine specific demethylase-1 KDM1B, KDM1A, KDM3A KDM1A 2/4885ALDH1A1 256/4885CYP2A6 2304/4885
US-20190194161-A1 INHIBITOR OF LYSINE SPECIFIC DEMETHYLASE-1 KDM1B, KDM1A, KDM3A KDM1A 2/4885ALDH1A1 256/4885CYP2A6 2304/4885
US-20190194162-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 KDM1B, KDM1A, KDM3A KDM1A 2/4885ALDH1A1 235/4885CYP2A6 2197/4885
US-20180265491-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 KDM1B, KDM1A, KDM3A KDM1A 2/4885ALDH1A1 235/4885CYP2A6 2197/4885

“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.