SCHEMBL2901677

SCHEMBL2901677

COc1ccc(-c2ccc(C(c3c[nH]nc3-c3ccco3)N3CCC(O)C3)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.39
SMAD3 P84022 3/20 0.36
POLB P06746 2/20 0.35
ALDH1A1 P00352 6/20 0.35
P4HB P07237 3/20 0.35
KDM4E B2RXH2 3/20 0.34
HPGD P15428 3/20 0.34
TSHR P16473 2/20 0.34
HSD17B10 Q99714 1/20 0.34
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
HTT P42858 3/20 0.34
TP53 P04637 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
THRB P10828 2/20 0.33
NPC1 O15118 1/20 0.33
BRAF P15056 1/20 0.33
ALOX12 P18054 1/20 0.33
PTPN7 P35236 1/20 0.33
RECQL P46063 1/20 0.33

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
SCHEMBL2907737 0.89 LMNA (0.33) MAPTSMAD3POLBALDH1A1P4HB
SCHEMBL2907788 0.87 LMNA (0.37) MAPTALDH1A1KDM4EHPGDTSHR
SCHEMBL2908342 0.85 ITGB2 (0.38) MAPTPOLBALDH1A1P4HBKDM4E
SCHEMBL2908848 0.85 LRRK2 (0.36) MAPTMCL1
SCHEMBL2908995 0.84 BRAF (0.46) MAPTSMAD3POLBALDH1A1P4HB
SCHEMBL2905924 0.84 OPRD1 (0.40) MAPTSMAD3POLBALDH1A1P4HB
SCHEMBL5228511 0.83 MAPT (0.38) MAPTSMAD3POLBALDH1A1P4HB
SCHEMBL2902229 0.82 SMN1; SMN2 (0.47) MAPTSMAD3POLBALDH1A1KDM4E
SCHEMBL2908989 0.79 KMT2A (0.44) MAPTALDH1A1KDM4ETSHRKMT2A
SCHEMBL2904631 0.75 MCHR1 (0.40) MAPTPOLBALDH1A1KDM4EHPGD

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
EP-1611107-B1 1,3,4-SUBSTITUTED PYRAZOLES FOR USE AS 5-HT RECEPTOR ANTAGONISTS IN THE TREATMENT OF PSYCHOSES AND NEUROLOGICAL DISORDERS MERCK PATENT GMBH (DE) 2010-08-18 EP claimed
US-7566709-B2 1,3,4-Substituted pyrazoles as 5-HT receptor antagonists for the treatment of psychoses and neurological disorders MERCK PATENT GMBH (DE) 2009-07-28 US disclosed
US-20070105871-A1 1,3,4-Substituted pyrazoles as 5-ht receptor antagonists for the treatment of psychoses and neurological disorders MERCK PATENT GMBH (DE) 2007-05-10 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-20070105871-A1 1,3,4-Substituted pyrazoles as 5-ht receptor antagonists for the treatment of psychoses and neurological disorders HTR1A, HTR1D, HTR5A MAPT 1204/4885SMAD3 4051/4885POLB 3733/4885

“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.