SCHEMBL4430677

SCHEMBL4430677

O=C(Nc1ccccc1)c1c[nH]c2ccccc12

nearest known ligand 0.80

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CFTR P13569 6/20 0.80
NPC1 O15118 4/20 0.72
MEN1 O00255 3/20 0.72
KMT2A Q03164 3/20 0.72
RAB9A P51151 2/20 0.72
PBRM1 Q86U86 1/20 0.62
HRH3 Q9Y5N1 1/20 0.61
HTR2C P28335 1/20 0.61
GPR84 Q9NQS5 1/20 0.61
ALDH1A1 P00352 1/20 0.57
ATM Q13315 1/20 0.57
CASP3 P42574 1/20 0.57
SENP7 Q9BQF6 1/20 0.57

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
SCHEMBL28583845 0.90 NHERF1 (0.68) CFTRNPC1MEN1KMT2ARAB9A
SCHEMBL398391 0.89 CFTR (1.00) CFTRNPC1MEN1KMT2ARAB9A
SCHEMBL29753973 0.88 CFTR (0.63) CFTRNPC1MEN1KMT2ARAB9A
SCHEMBL20567521 0.88 STING1 (0.64) CFTRNPC1MEN1KMT2ARAB9A
SCHEMBL6037542 0.88 NPC1 (0.75) CFTRNPC1MEN1KMT2ARAB9A
SCHEMBL20567856 0.88 CFTR (0.63) CFTRNPC1MEN1KMT2ARAB9A
SCHEMBL20567516 0.88 STING1 (0.64) CFTRNPC1MEN1KMT2ARAB9A
SCHEMBL20567704 0.88 STING1 (0.64) CFTRNPC1MEN1KMT2ARAB9A
SCHEMBL3767352 0.88 CFTR (0.63) CFTRNPC1MEN1KMT2ARAB9A
SCHEMBL6037539 0.88 CFTR (0.63) CFTRNPC1MEN1KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240189278-A1 NOVEL COMPOUNDS AND METHODS FOR INCREASING KLOTHO GENE EXPRESSION KLOTHO THERAPEUTICS, INC. 2024-06-13 US disclosed
WO-2024109642-A1 USE OF BENZOAZACYCLIC COMPOUND AS ALLOSTERIC MODULATOR OF β2-ADRENOCEPTOR 常州大学 2024-05-30 WO disclosed
CN-117447381-A Indole amide derivative and its application in preparing beta 2 Use of adrenoreceptor allosteric antagonist medicaments 常州大学 2024-01-26 CN disclosed
EP-3541817-B1 IMIDAZOPYRIDAZINE MODULATORS OF IL-12, IL-23 AND/OR IFN-ALPHA BRISTOL MYERS SQUIBB CO (US) 2020-12-23 EP disclosed
US-20180338951-A1 TREATMENTS FOR ARTERIAL STIFFENING, HYPERTENSION AND ANTI-AGING KLOTHO THERAPEUTICS, INC. 2018-11-29 US disclosed
WO-2018093968-A1 IMIDAZOPYRIDAZINE MODULATORS OF IL-12, IL-23 AND/OR IFN-ALPHA BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-24 WO disclosed
EP-3027602-A1 NOVEL DERIVATIVES OF INDOLE AND PYRROLE, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Les Laboratoires Servier (FR) 2016-06-08 EP disclosed
WO-2015011396-A1 NOVEL DERIVATIVES OF INDOLE AND PYRROLE, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2015-01-29 WO disclosed
US-8735414-B2 Indole derivatives and methods for antiviral treatment PTC THERAPEUTICS, INC. (US) 2014-05-27 US disclosed
US-20120184574-A1 INDOLE DERIVATIVES AND METHODS FOR ANTIVIRAL TREATMENT PTC THERAPEUTICS, INC. (US) 2012-07-19 US disclosed
EP-2125718-A2 NEW SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS Boehringer Ingelheim International GmbH (DE) 2009-12-02 EP disclosed
WO-2008113760-A2 ARYLSULPHONYGLYCINE DERIVATIVES AS SUPPRESSORS OF THE INTERACTION OF GLYCOGEN PHOSPHORYLASE A WITH THE GL SUBUNIT OF GLYCOGEN-ASSOCIATED PROTEIN PHOSPHATASE 1 (PPL) FOR THE TREATMENT OF METABOLIC DISORDERS, PARTICULARY DIABETES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-09-25 WO disclosed
US-20070213359-A1 BICYCLIC-NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF ACADIA PHARMACEUTICALS INC. (US) 2007-09-13 US disclosed
US-20070213359-A1 BICYCLIC-NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF ACADIA PHARMACEUTICALS INC. (US) 2007-09-13 US disclosed
US-20070213359-A1 BICYCLIC-NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF ACADIA PHARMACEUTICALS INC. (US) 2007-09-13 US disclosed
WO-2007079239-A2 BICYCLIC NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF ACADIA PHARMACEUTICALS INC. (US) 2007-07-12 WO disclosed
WO-2007079239-A2 BICYCLIC NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF ACADIA PHARMACEUTICALS INC. (US) 2007-07-12 WO disclosed
US-20030153754-A1 Fused pyrrolecarboxamides; a new class of GABA brain receptor ligands NEUROGEN CORPORATION, A CORPORATION OF THE STATE OF DELAWARE 2003-08-14 US disclosed
US-5464861-A Anticarcinogenic agents WARNER-LAMBERT (US) 1995-11-07 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 (5 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-20240189278-A1 NOVEL COMPOUNDS AND METHODS FOR INCREASING KLOTHO GENE EXPRESSION COL2A1, COL1A1, COL14A1 CFTR 3096/4885NPC1 3649/4885MEN1 1555/4885
US-20120184574-A1 INDOLE DERIVATIVES AND METHODS FOR ANTIVIRAL TREATMENT IDO1, IRF3, MAVS CFTR 4684/4885NPC1 1474/4885MEN1 4766/4885
US-20070213359-A1 BICYCLIC-NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF GIPR, GHSR, GHRHR CFTR 897/4885NPC1 799/4885MEN1 2039/4885
US-20180338951-A1 TREATMENTS FOR ARTERIAL STIFFENING, HYPERTENSION AND ANTI-AGING COL2A1, COL1A1, COL14A1 CFTR 3146/4885NPC1 4496/4885MEN1 519/4885
US-20030153754-A1 Fused pyrrolecarboxamides; a new class of GABA brain receptor ligands GABRB1, GABRB3, GABRB2 CFTR 3215/4885NPC1 1723/4885MEN1 4750/4885

“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.