SCHEMBL3962961

SCHEMBL3962961

Oc1ccccc1-c1cccnc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
RIPK1 Q13546 1/20 0.45
PDE5A O76074 1/20 0.45
RAB9A P51151 2/20 0.44
MAPT P10636 2/20 0.44
PKM P14618 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 2/20 0.42
IDO1 P14902 2/20 0.42
HTT P42858 1/20 0.42
ALDH1A1 P00352 3/20 0.41
HPGD P15428 1/20 0.41
BCL2L1 Q07817 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP19A1 P11511 1/20 0.41
METAP2 P50579 2/20 0.41
METAP1 P53582 2/20 0.41
MMP2 P08253 1/20 0.41

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
SCHEMBL3959244 0.81 CYP19A1 (0.49) NPC1KMT2AMEN1RAB9AMAPT
SCHEMBL31214474 0.80
SCHEMBL188902 0.80
SCHEMBL5685526 0.80 NPC1 (0.49) NPC1KMT2AMEN1RAB9AMAPT
SCHEMBL29594708 0.78 RIPK1 (0.47) NPC1RIPK1PDE5ARAB9AMAPT
SCHEMBL20821415 0.78 DPP4 (0.50) NPC1KMT2AMEN1RAB9AMAPT
SCHEMBL28545758 0.78 RIPK1 (0.47) NPC1RIPK1PDE5ARAB9AMAPT
Hydrochloric Acid SCHEMBL4955115 0.78
Methane SCHEMBL28008411 0.78
SCHEMBL29693684 0.77 PTPRC (0.50) KMT2AMEN1RIPK1PDE5AIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112771027-A Lysophosphatidic acid receptor antagonists and process for their preparation 武汉朗来科技发展有限公司 2021-05-07 CN disclosed
WO-2020147739-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AND PREPARATION METHOD THEREFOR 武汉朗来科技发展有限公司 2020-07-23 WO disclosed
CN-111187215-A Fluorine-containing pyrazole amide derivative, preparation method and application thereof 西北农林科技大学 2020-05-22 CN disclosed
CN-110092798-A It is a kind of as the heterocyclic compound and its synthetic method of FGFR inhibitor and application 上海新契博生物科技有限公司 2019-08-06 CN disclosed
CN-110093793-A Inkjet pigments printing and dyeing treatment fluid composition, pigment printing and dyeing inkjet ink composition group and inkjet pigments dyeing method 精工爱普生株式会社 2019-08-06 CN disclosed
CN-107406566-A Polyisocyantates composition, polyurethane resin and coating 三井化学株式会社 2017-11-28 CN disclosed
CN-107001558-A Self-repairing urethane resin raw material, self-repairing urethane resin, self-repairing coating material, self-repairing elastomer material, method for producing self-repairing urethane resin raw material, and method for producing self-repairing urethane resin 三井化学株式会社 2017-08-01 CN disclosed
CN-107001557-A Self-repairing urethane resin raw material, self-repairing urethane resin, self-repairing coating material, self-repairing elastomer material, method for producing self-repairing urethane resin raw material, and method for producing self-repairing urethane resin 三井化学株式会社 2017-08-01 CN disclosed
CN-103347852-B Pentanediisocyanate, process for producing pentamethylenediisocyanate, polyisocyanate composition, polyurethane resin, and polyurea resin MITSUI CHEMICALS, INC. (JP) 2016-04-13 CN disclosed
US-20090076268-A1 Facile assembly of fused benzofuro-heterocycles JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-19 US disclosed
US-20090076268-A1 Facile assembly of fused benzofuro-heterocycles JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-19 US disclosed
US-20090076268-A1 Facile assembly of fused benzofuro-heterocycles JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-19 US disclosed
WO-2009035668-A1 FACILE ASSEMBLY OF FUSED BENZOFURO-HETEROCYCLES JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-19 WO disclosed
WO-2009035668-A1 FACILE ASSEMBLY OF FUSED BENZOFURO-HETEROCYCLES JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-19 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 (1 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-20090076268-A1 Facile assembly of fused benzofuro-heterocycles BICRA, DDC, DDT NPC1 4166/4885KMT2A 1540/4885MEN1 763/4885

“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.