SCHEMBL40014

SCHEMBL40014

O=C(O)c1[nH]c2ccc(Cl)cc2c1-c1cscn1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAP2 P11137 5/20 0.59
GPR35 Q9HC97 4/20 0.45
METAP2 P50579 1/20 0.45
METAP1 P53582 1/20 0.45
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
CYP1A2 P05177 1/20 0.42
HPGD P15428 1/20 0.42
XBP1 P17861 1/20 0.42
CYP2C19 P33261 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
SCHEMBL39984 0.83 ALDH1A1 (0.63) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL11341809 0.80 MAP2 (0.69) MAP2GPR35ALDH1A1KDM4EMEN1
SCHEMBL39977 0.78 MAP2 (0.71) MAP2GPR35ALDH1A1KDM4EMEN1
SCHEMBL39881 0.75 CNR2 (0.47) MAP2ALDH1A1KDM4EPOLBHPGD
SCHEMBL42364 0.74 MAP2 (1.00) MAP2GPR35ALDH1A1KDM4EMEN1
SCHEMBL3037898 0.73 MAP2 (0.63) MAP2ALDH1A1MEN1KMT2APOLB
SCHEMBL39929 0.72 MAP2 (0.61) MAP2GPR35ALDH1A1KDM4EMEN1
SCHEMBL9457640 0.72 MAP2 (0.65) MAP2GPR35ALDH1A1KDM4EMEN1
SCHEMBL6921821 0.72 MAP2 (0.65) MAP2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL27372699 0.70 MAP2 (0.63) MAP2GPR35ALDH1A1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120028990-A1 3 ARYL OR HETEROARYL-SUBSTITUTED INDOLE DERIVATIVE MSD K.K 2012-02-02 US disclosed
US-20120028990-A1 3 ARYL OR HETEROARYL-SUBSTITUTED INDOLE DERIVATIVE MSD K.K 2012-02-02 US disclosed
US-20120028990-A1 3 ARYL OR HETEROARYL-SUBSTITUTED INDOLE DERIVATIVE MSD K.K 2012-02-02 US disclosed
WO-2010119984-A1 3-ARYL OR HETEROARYL-SUBSTITUTED INDOLE DERIVATIVE BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-10-21 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 (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-20120028990-A1 3 ARYL OR HETEROARYL-SUBSTITUTED INDOLE DERIVATIVE IDO1, TPH1, AHR MAP2 1030/4885GPR35 814/4885METAP2 2096/4885

“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.