SCHEMBL39977

SCHEMBL39977

O=C(O)c1[nH]c2ccc(Cl)cc2c1-c1ccsc1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP2 P11137 7/20 0.71
GPR35 Q9HC97 4/20 0.67
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 2/20 0.53
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HPGD P15428 2/20 0.50
ATM Q13315 1/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.50
CYP1A2 P05177 1/20 0.50
XBP1 P17861 1/20 0.50
CYP2C19 P33261 1/20 0.50
HTT P42858 1/20 0.49
GFER P55789 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL42364 0.83 MAP2 (1.00) MAP2GPR35ALDH1A1KDM4EMEN1
SCHEMBL40008 0.82 ALDH1A1 (0.73) MAP2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL14702927 0.81 GPR35 (1.00) MAP2GPR35ALDH1A1KDM4EMEN1
SCHEMBL7594894 0.80 KDM4E (0.71) MAP2GPR35ALDH1A1KDM4EMEN1
SCHEMBL40014 0.78 MAP2 (0.59) MAP2GPR35ALDH1A1KDM4EMEN1
SCHEMBL39889 0.77 MAP2 (0.69) MAP2GPR35ALDH1A1KDM4EMEN1
SCHEMBL9457640 0.77 MAP2 (0.65) MAP2GPR35ALDH1A1KDM4EMEN1
SCHEMBL3037898 0.76 MAP2 (0.63) MAP2ALDH1A1MEN1KMT2AHPGD
SCHEMBL7239768 0.76 PPARG (0.44) MAP2GPR35ALDH1A1KDM4EHPGD
SCHEMBL6921821 0.75 MAP2 (0.65) MAP2ALDH1A1KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2419408-A1 3-ARYL OR HETEROARYL-SUBSTITUTED INDOLE DERIVATIVE MSD K.K. (JP) 2012-02-22 EP 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
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
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 814/4885ALDH1A1 2066/4885

“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.