SCHEMBL523809

SCHEMBL523809

[c]1nc2ccccc2cc1-c1ccc2ccccc2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.44
NPC1 O15118 10/20 0.44
CYP3A4 P08684 3/20 0.44
CYP1A2 P05177 3/20 0.44
AR P10275 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 9/20 0.43
HPGD P15428 4/20 0.43
MAPT P10636 4/20 0.43
GLA P06280 1/20 0.43
ACHE P22303 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 9/20 0.42
SMN1; SMN2 Q16637 6/20 0.42
HSD17B10 Q99714 4/20 0.42
TP53 P04637 3/20 0.42
PKM P14618 3/20 0.42

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
SCHEMBL10462546 0.88 BACE1 (0.42) RAB9ANPC1CYP3A4CYP1A2AR
SCHEMBL15229223 0.82 ALDH1A1 (0.43) RAB9ANPC1CYP3A4ALDH1A1HPGD
SCHEMBL2659111 0.79 NPC1 (0.44) RAB9ANPC1CYP1A2ALDH1A1HPGD
SCHEMBL2320187 0.77 KDM4E (0.47) RAB9ANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL6951103 0.76 CYP1A2 (0.53) RAB9ANPC1CYP3A4CYP1A2AR
SCHEMBL628270 0.76 ALDH1A1 (0.43) RAB9ANPC1CYP1A2ALDH1A1HPGD
SCHEMBL1217656 0.75 GSTP1 (0.40) RAB9ANPC1CYP1A2ARCYP2C9
SCHEMBL4099996 0.75 ALDH1A1 (0.35) ALDH1A1HPGDMAPTGLAACHE
SCHEMBL1542711 0.75 DHODH (0.39) RAB9ANPC1ALDH1A1HPGDMAPT
SCHEMBL10394043 0.75 MAPT (0.35) RAB9ANPC1ALDH1A1HPGDMAPT

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159464-A1 PROCESS FOR PRODUCING 4,5-DIHYDRO-1H-PYRAZOLES AND INTERMEDIATES NOVO NORDISK A/S (DK) 2023-05-25 US disclosed
US-8298994-B2 Substituted 1-(diazinyl)pyrazol-4-ylacetic acids, processes for their preparation and their use as herbicides and plant growth regulators BAYER CROPSCIENCE AG (DE) 2012-10-30 US disclosed
EP-2423190-A1 Compounds Exhibiting PGD 2 Receptor Antagonism Shionogi&Co., Ltd. (JP) 2012-02-29 EP disclosed
US-20120028995-A1 NOVEL COMPOUNDS FOR MEDICAL USE AS PEPTIDASE EFFECTORS IMTM GMBH (DE) 2012-02-02 US disclosed
US-8067611-B2 Substituted 1-(thiazolyl)-and 1-(isothiazolyl)pyrazol-4-ylacetic acids, processes for their preparation and their use as herbicides and plant growth regulators BAYER CROPSCIENCE AG (DE) 2011-11-29 US disclosed
US-20110257014-A1 1-(Heteroaryl)pyrazol-4-ylacetic acids, processes for their preparation and their use as herbicides and plant growth regulators BAYER CROPSCIENCE AG (DE) 2011-10-20 US disclosed
US-8017620-B2 Dutpase inhibitors MEDIVIR AB (SE) 2011-09-13 US disclosed
US-20110117069-A1 METHOD FOR ACTIVATING REGULATORY T-CELLS IMTM GMBH (DE) 2011-05-19 US disclosed
US-20110021459-A1 DUTPASE INHIBITORS MEDIVIR AB (SE) 2011-01-27 US disclosed
US-7795270-B2 DUTPase inhibitors MEDIVIR AB (SE) 2010-09-14 US disclosed
WO-2005066160-A1 DUTPASE INHIBITORS MEDIVIR AB (SE) 2005-07-21 WO disclosed
CN-1404480-A Pyrimidine carboxamides as inhibitors of the PDE4 isozyme PFIZER PROD INC (US) 2003-03-19 CN disclosed
WO-2002069972-A2 TRIAZOLE COMPOUNDS AND THE USE THEREOF IN THE PROPHYLAXIS AND THERAPY OF NEURODEGENERATIVE DISEASES, CEREBRAL TRAUMA AND CEREBRAL ISCHEMIA ABBOTT GMBH & CO. KG (DE) 2002-09-12 WO disclosed
US-RE37781-E1 VIRICIDES, PROTEASE INHIBITOR DUPONT PHARMACEUTICALS COMPANY 2002-07-02 US disclosed
US-5610294-A VIRAL TREATMENT THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-03-11 US disclosed
US-5514692-A VIRICIDES STERLING WINTHROP INC. (US) 1996-05-07 US disclosed
US-5410052-A Useful for extraction of ligand such as molecular oxygen from fluid environment and for release of such ligand THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1995-04-25 US disclosed
EP-0479892-A1 FUSED-RING ARYL SUBSTITUTED IMIDAZOLES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-04-15 EP disclosed
US-4959135-A OXYGEN AQUANAUTICS CORPORATION (US) 1990-09-25 US disclosed
WO-1988006641-A1 POLYALKYLAMINE COMPLEXES FOR LIGAND EXTRACTION AND GENERATION AQUANAUTICS CORPORATION (US) 1988-09-07 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 (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-20110117069-A1 METHOD FOR ACTIVATING REGULATORY T-CELLS ANPEP, DNPEP, RNPEP RAB9A 2409/4885NPC1 4377/4885CYP3A4 1761/4885
US-20120028995-A1 NOVEL COMPOUNDS FOR MEDICAL USE AS PEPTIDASE EFFECTORS SERPINB1, CMA1, CPA3 RAB9A 3465/4885NPC1 2884/4885CYP3A4 1304/4885
US-20110021459-A1 DUTPASE INHIBITORS DUT, DHODH, NAT10 RAB9A 3161/4885NPC1 1799/4885CYP3A4 1010/4885
US-20110257014-A1 1-(Heteroaryl)pyrazol-4-ylacetic acids, processes for their preparation and their use as herbicides and plant growth regulators DDT, HPD, DDC RAB9A 2968/4885NPC1 4678/4885CYP3A4 563/4885
US-20230159464-A1 PROCESS FOR PRODUCING 4,5-DIHYDRO-1H-PYRAZOLES AND INTERMEDIATES LMNB1, LMNB2, LMNA RAB9A 1525/4885NPC1 693/4885CYP3A4 211/4885

“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.