SCHEMBL39889

SCHEMBL39889

O=C(O)c1[nH]c2ccc(Cl)cc2c1-c1ccoc1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP2 P11137 8/20 0.69
GPR35 Q9HC97 3/20 0.53
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 2/20 0.52
HPGD P15428 2/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
CYP1A2 P05177 1/20 0.49
XBP1 P17861 1/20 0.49
CYP2C19 P33261 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HTT P42858 1/20 0.48
GFER P55789 1/20 0.48
HSD17B10 Q99714 1/20 0.48
ATM Q13315 1/20 0.46

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
SCHEMBL40494 0.82 ALDH1A1 (0.72) MAP2ALDH1A1HPGDMAPTCYP1A2
SCHEMBL42364 0.82 MAP2 (1.00) MAP2GPR35ALDH1A1KDM4EHPGD
SCHEMBL40526 0.81 KDM4E (0.69) MAP2GPR35ALDH1A1KDM4EHPGD
SCHEMBL39977 0.77 MAP2 (0.71) MAP2GPR35ALDH1A1KDM4EHPGD
SCHEMBL39858 0.74 CNR2 (0.49) MAP2ALDH1A1KDM4EHPGDPOLB
SCHEMBL6921821 0.74 MAP2 (0.65) MAP2ALDH1A1KDM4EPOLBMEN1
SCHEMBL17457368 0.73 CSF1R (0.61) KDM4E
SCHEMBL2716626 0.72 MAP2 (0.81) MAP2ALDH1A1KDM4EHPGDPOLB
SCHEMBL3037898 0.72 MAP2 (0.63) MAP2ALDH1A1HPGDPOLBMAPT
SCHEMBL27372699 0.72 MAP2 (0.63) MAP2GPR35ALDH1A1KDM4EMAPT

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.