SCHEMBL4028332

SCHEMBL4028332

O=C(Nc1cccnc1)C(=O)c1c[nH]c2ccccc12

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.73
NPC1 O15118 6/20 0.73
MEN1 O00255 2/20 0.73
KMT2A Q03164 2/20 0.73
CASP3 P42574 1/20 0.63
SENP7 Q9BQF6 1/20 0.63
MAPT P10636 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
ALDH1A1 P00352 1/20 0.59
HTR2C P28335 1/20 0.55
PKM P14618 1/20 0.55
GAA P10253 1/20 0.54
GABRP O00591 1/20 0.52
GABRD O14764 1/20 0.52
GABRA1 P14867 1/20 0.52
GABRB1 P18505 1/20 0.52
GABRG2 P18507 1/20 0.52
GABRB3 P28472 1/20 0.52
GABRA5 P31644 1/20 0.52
GABRA3 P34903 1/20 0.52

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
SCHEMBL4241048 0.87 HTR2C (0.70) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL3194481 0.85 RAB9A (0.79) RAB9ANPC1MEN1KMT2ACASP3
SCHEMBL11903794 0.85 RAB9A (1.00) RAB9ANPC1MEN1KMT2ACASP3
SCHEMBL32319858 0.85 RAB9A (1.00) RAB9ANPC1MEN1KMT2ACASP3
SCHEMBL397919 0.81 CFTR (0.74) HTR2CGABRA1GABRB1GABRA5GABRA3
SCHEMBL11924590 0.79 KIF20A (0.58) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL13042999 0.79 RAB9A (0.64) RAB9ANPC1MEN1KMT2ACASP3
SCHEMBL11924589 0.79 RAB9A (0.81) RAB9ANPC1MEN1KMT2ACASP3
SCHEMBL3721330 0.78 RAB9A (0.75) RAB9ANPC1MEN1KMT2ACASP3
SCHEMBL25920495 0.78 HTR2C (0.45) RAB9ANPC1MEN1KMT2ACASP3

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-20140155626-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-06-05 US disclosed
US-20130011923-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-10 US disclosed
US-8242149-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-14 US disclosed
WO-2010139982-A1 INDOLE DERIVATIVES FOR THE STIMULATION OF STEM CELL PROLIFERATION THE UNIVERSITY OF SHEFFIELD (GB) 2010-12-09 WO disclosed
EP-0931063-B3 N-SUBSTITUTED INDOL-3-GLYOXYLAMID WITH ANTIASTHMATIC, ANTIALLERGIC AND IMMUNOSUPPRESSIVE/IMMUNOMODULATING EFFECT ZIOPHARM ONCOLOGY INC (US) 2009-04-08 EP disclosed
EP-0931063-B1 N-SUBSTITUTED INDOL-3-GLYOXYLAMID WITH ANTIASTHMATIC, ANTIALLERGIC AND IMMUNOSUPPRESSIVE/IMMUNOMODULATING EFFECT BAXTER HEALTHCARE SA (CH) 2006-10-18 EP disclosed
US-20020161025-A1 N-substituted indole-3glyoxylamides having anti-asthmatic, antiallergic and immunosuppressant/immuno-modulating action ZIOPHARM ONCOLOGY, INC. 2002-10-31 US disclosed
US-6008231-A ANTIALLERGENS, ANTIHISTAMINES, IMMUNOSUPPRESSANTS, IMMUNOMODULATORS ASTA MEDICA AKTIENGESELLSCHGT (DE) 1999-12-28 US disclosed
EP-0931063-A1 N-SUBSTITUTED INDOL-3-GLYOXYLAMID WITH ANTIASTHMATIC, ANTIALLERGIC AND IMMUNOSUPPRESSIVE/IMMUNOMODULATING EFFECT ASTA Medica Aktiengesellschaft (DE) 1999-07-28 EP disclosed
WO-1998009946-A1 N-SUBSTITUTED INDOL-3-GLYOXYLAMID WITH ANTIASTHMATIC, ANTIALLERGIC AND IMMUNOSUPPRESSIVE/IMMUNOMODULATING EFFECT ASTA MEDICA AKTIENGESELLSCHAFT (DE) 1998-03-12 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 (2 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-20020161025-A1 N-substituted indole-3glyoxylamides having anti-asthmatic, antiallergic and immunosuppressant/immuno-modulating action IDO1, IDO2, INMT RAB9A 3511/4885NPC1 4190/4885MEN1 4372/4885
US-20140155626-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 RAB9A 2302/4885NPC1 29/4885MEN1 4698/4885

“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.