SCHEMBL3101441

SCHEMBL3101441

Cc1cc(C)c(C(=O)Nc2c(C(=O)O)[nH]c3ccccc23)cc1C

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.63
KMT2A Q03164 7/20 0.63
KDM4E B2RXH2 4/20 0.63
GAA P10253 6/20 0.57
GFER P55789 4/20 0.57
MAPT P10636 12/20 0.56
ALDH1A1 P00352 5/20 0.54
HPGD P15428 3/20 0.51
HSD17B10 Q99714 3/20 0.51
HTT P42858 1/20 0.51
ATM Q13315 1/20 0.51
TP53 P04637 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
LMNA P02545 1/20 0.49
NPSR1 Q6W5P4 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
SCHEMBL27787411 0.80 MEN1 (0.60) MEN1KMT2AKDM4EGAAGFER
SCHEMBL9816494 0.79 MAPT (0.70) MEN1KMT2AKDM4EGAAGFER
SCHEMBL9816506 0.78 KDM4E (1.00) MEN1KMT2AKDM4EGAAGFER
SCHEMBL3107640 0.76 MAPT (0.63) MEN1KMT2AKDM4EGAAGFER
SCHEMBL6257175 0.76 KMT2A (0.69) MEN1KMT2AKDM4EGAAMAPT
SCHEMBL8541848 0.75 MEN1 (0.72) MEN1KMT2AKDM4EGAAGFER
SCHEMBL7469842 0.72 KMT2A (0.55) MEN1KMT2AKDM4EGAAGFER
SCHEMBL7833634 0.71 KDM4E (0.66) MEN1KMT2AKDM4EGAAGFER
SCHEMBL29177155 0.71 HPGD (0.68) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL27785395 0.71 MEN1 (0.66) MEN1KMT2AKDM4EGAAGFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071622-B2 1-[1-(6-Methoxy-1H-indole-2-carbonyl)-piperidin-4-yl]-1,3-dihydro-benzoimidazol-2-one; vasopressin receptors antagonist; antidepressant, anxiolytic agent; dysmenorrhea, hypertension, inappropriate secretion of vasopressin, liver cirrhosis, nephrotic syndrome, obsessive compulsive disorder HOFFMAN-LA ROCHE INC. (US) 2011-12-06 US disclosed
US-7799923-B2 Vasopressin receptor antagonists; (4-Benzotriazol-1-yl-piperidin-1-yl)-(5-chloro-1H-indol-2-yl)-methanone; antidepressants, anxiolytic agents; dysmenorrhea, hypertension, inappropriate secretion of vasopressin, liver cirrhosis, nephrotic syndrome, obsessive compulsive disorder HOFFMANN-LA ROCHE INC. (US) 2010-09-21 US disclosed
EP-2089381-B1 INDOLES WHICH ACT AS VIA RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-06-30 EP disclosed
EP-2089381-A1 INDOLES WHICH ACT AS VIA RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2009-08-19 EP disclosed
US-20080269290-A1 Indoles F. HOFFMANN-LA ROCHE AG (CH) 2008-10-30 US disclosed
US-20080139618-A1 INDOLES HOFFMAN-LA ROCHE INC. 2008-06-12 US disclosed
US-20080139548-A1 INDOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-12 US disclosed
WO-2008068184-A1 INDOLES WHICH ACT AS VIA RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-06-12 WO disclosed
US-20080139617-A1 INDOLES HOFFMAN-LA ROCHE INC. 2008-06-12 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 (4 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-20080139548-A1 INDOLES HTR1A, AVPR1A, TPH1 MEN1 1712/4885KMT2A 1042/4885KDM4E 1393/4885
US-20080139617-A1 INDOLES HTR1A, AVPR1A, TPH1 MEN1 1712/4885KMT2A 1042/4885KDM4E 1393/4885
US-20080269290-A1 Indoles HTR1A, AVPR1A, TPH1 MEN1 1712/4885KMT2A 1042/4885KDM4E 1393/4885
US-20080139618-A1 INDOLES HTR1A, AVPR1A, TPH1 MEN1 1712/4885KMT2A 1042/4885KDM4E 1393/4885

“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.