SCHEMBL3877334

SCHEMBL3877334

COCCOc1ccc2c(Br)c(C(=O)OC)[nH]c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.51
MAPT P10636 5/20 0.51
HSD17B10 Q99714 5/20 0.51
GAA P10253 4/20 0.51
ALDH1A1 P00352 4/20 0.51
HPGD P15428 3/20 0.51
ALOX15 P16050 2/20 0.51
USP2 O75604 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
DYRK1A Q13627 2/20 0.47
MAOA P21397 1/20 0.47
KMT2A Q03164 5/20 0.46
MEN1 O00255 3/20 0.46
MTNR1A P48039 2/20 0.45
MTNR1B P49286 2/20 0.45
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 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
SCHEMBL5265037 0.89 GPR17 (0.50) KDM4EMAPTHSD17B10GAAALDH1A1
SCHEMBL3036356 0.84 KDM4E (0.70) KDM4EMAPTHSD17B10GAAALDH1A1
SCHEMBL3879316 0.83 KDM4E (0.56) KDM4EMAPTHSD17B10GAAALDH1A1
SCHEMBL3881800 0.79 KDM4E (0.51) KDM4EMAPTHSD17B10GAAALDH1A1
SCHEMBL20571055 0.78 ALDH1A1 (0.50) KDM4EMAPTHSD17B10GAAALDH1A1
SCHEMBL3023269 0.77 KDM4E (0.50) KDM4EMAPTHSD17B10GAAALDH1A1
SCHEMBL27027505 0.76 GPR17 (0.53) KDM4EMAPTHSD17B10GAAALDH1A1
SCHEMBL24482983 0.76 NR4A2 (0.54) KDM4EMAPTHSD17B10GAAALDH1A1
SCHEMBL3023937 0.75 GPR17 (0.49) MAOAMTNR1AMTNR1BGPR17
SCHEMBL3886236 0.73 XDH (0.56) KDM4EMAPTALDH1A1HPGDALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7566736-B2 Substituted indoles, compositions containing them, method for the production thereof and their use AVENTIS PHARMA S.A. (FR) 2009-07-28 US disclosed
CN-101098868-A Substituted indoles, compositions containing them, method for the production thereof and their use AVENTIS PHARMA SA (FR) 2008-01-02 CN disclosed
US-20070259910-A1 Substituted Indoles, Compositions Containing Them, Method for the Production Thereof and Their Use AVENTIS PHARMA S.A. (FR) 2007-11-08 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-20070259910-A1 Substituted Indoles, Compositions Containing Them, Method for the Production Thereof and Their Use IDO1, RB1, IDO2 KDM4E 1882/4885MAPT 3176/4885HSD17B10 2637/4885

“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.