SCHEMBL2567040

SCHEMBL2567040

CCOc1ccc(-n2c(SC(C)C(=O)NCCC#N)nc3cc[nH]c3c2=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
TSHR P16473 3/20 0.41
HTT P42858 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 2/20 0.40
POLB P06746 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
USP2 O75604 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
TP53 P04637 8/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 4/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 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
SCHEMBL2567954 0.86 KDM4E (0.53) ALDH1A1KDM4EPOLBRXFP1USP2
SCHEMBL3003973 0.84 KDM4E (0.45) ALDH1A1KDM4EPOLBRXFP1USP2
SCHEMBL2989209 0.83 KDM4E (0.44) ALDH1A1KDM4EPOLBRXFP1USP2
SCHEMBL2566922 0.82 KDM4E (0.44) ALDH1A1KDM4EPOLBRXFP1USP2
SCHEMBL13266375 0.81 TSHR (0.47) ALDH1A1TSHRHTTNPSR1POLB
SCHEMBL13242269 0.81 TP53 (0.43) ALDH1A1TSHRKDM4EPOLBRXFP1
SCHEMBL2564092 0.81 KDM4E (0.43) ALDH1A1KDM4EPOLBRXFP1USP2
SCHEMBL2569793 0.80 FADS1 (0.49) ALDH1A1TSHRKDM4EPOLBRXFP1
SCHEMBL2565557 0.79 TP53 (0.42) ALDH1A1TSHRKDM4EPOLBRXFP1
SCHEMBL2565474 0.78 KDM4E (0.53) ALDH1A1KDM4EPOLBRXFP1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2382218-A1 DELTA-5-DESATURASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2011-11-02 EP disclosed
WO-2010087467-A1 DELTA-5-DESATURASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-05 WO disclosed
WO-2010087467-A1 DELTA-5-DESATURASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-05 WO disclosed
US-20100190747-A1 Fused ring compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 US disclosed
US-20100190747-A1 Fused ring compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 US 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-20100190747-A1 Fused ring compound and use thereof CYP46A1, LTB4R2, PTGES ALDH1A1 875/4885TSHR 4543/4885HTT 2833/4885

“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.