SCHEMBL3107640

SCHEMBL3107640

O=C(Nc1c(C(=O)O)[nH]c2ccccc12)c1ccc(F)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.63
KMT2A Q03164 8/20 0.62
MEN1 O00255 7/20 0.62
KDM4E B2RXH2 6/20 0.62
GFER P55789 3/20 0.62
CLK1 P49759 1/20 0.57
HSD17B10 Q99714 4/20 0.51
ALDH1A1 P00352 4/20 0.51
GAA P10253 3/20 0.51
HPGD P15428 3/20 0.51
LMNA P02545 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
TP53 P04637 2/20 0.50
NPC1 O15118 1/20 0.50
PKM P14618 1/20 0.50
RAB9A P51151 1/20 0.50
RXFP1 Q9HBX9 1/20 0.49
CFD P00746 1/20 0.48
HTT P42858 1/20 0.48

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
SCHEMBL9816494 0.90 MAPT (0.70) MAPTKMT2AMEN1KDM4EGFER
SCHEMBL6257175 0.83 KMT2A (0.69) MAPTKMT2AMEN1KDM4EHSD17B10
SCHEMBL3102622 0.82 KMT2A (0.65) MAPTKMT2AMEN1KDM4EGFER
SCHEMBL12351284 0.82 KMT2A (0.64) MAPTKMT2AMEN1KDM4ECLK1
SCHEMBL9133248 0.79 MAPT (0.57) MAPTKMT2AMEN1KDM4EGFER
SCHEMBL8541848 0.77 MEN1 (0.72) MAPTKMT2AMEN1KDM4EGFER
SCHEMBL9816506 0.77 KDM4E (1.00) MAPTKMT2AMEN1KDM4EGFER
SCHEMBL3101441 0.76 MEN1 (0.63) MAPTKMT2AMEN1KDM4EGFER
SCHEMBL7505864 0.76 MAPT (0.47) MAPTKMT2AMEN1CLK1LMNA
SCHEMBL4342284 0.75 MAPT (0.56) MAPTKMT2AMEN1KDM4ECLK1

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 10 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
CN-101541786-A Indoles as V1a receptor antagonists HOFFMANN LA ROCHE (CH) 2009-09-23 CN 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 MAPT 1443/4885KMT2A 1042/4885MEN1 1712/4885
US-20080139617-A1 INDOLES HTR1A, AVPR1A, TPH1 MAPT 1443/4885KMT2A 1042/4885MEN1 1712/4885
US-20080269290-A1 Indoles HTR1A, AVPR1A, TPH1 MAPT 1443/4885KMT2A 1042/4885MEN1 1712/4885
US-20080139618-A1 INDOLES HTR1A, AVPR1A, TPH1 MAPT 1443/4885KMT2A 1042/4885MEN1 1712/4885

“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.