SCHEMBL427375

SCHEMBL427375

[CH](c1ccccc1)c1ccccn1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.61
RAB9A P51151 5/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
ATM Q13315 1/20 0.61
TDP1 Q9NUW8 2/20 0.50
MAOA P21397 1/20 0.50
NR4A1 P22736 1/20 0.47
USP2 O75604 1/20 0.46
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
GRM4 Q14833 1/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
G6PC1 P35575 1/20 0.42
PKM P14618 2/20 0.41
KDM4E B2RXH2 2/20 0.40
LMNA P02545 2/20 0.40
CYP1A2 P05177 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL41190 0.85 RAB9A (0.74) NPC1RAB9AMEN1KMT2AATM
SCHEMBL28825496 0.83 RAB9A (0.52) NPC1RAB9AMEN1KMT2AATM
SCHEMBL27905797 0.83 NPC1 (0.52) NPC1RAB9AMEN1KMT2AATM
SCHEMBL11180576 0.81 NPC1 (0.73) NPC1RAB9AMEN1KMT2AATM
SCHEMBL461986 0.81 MEN1 (0.76) NPC1RAB9AMEN1KMT2AATM
SCHEMBL29389283 0.81 MEN1 (0.76) NPC1RAB9AMEN1KMT2AATM
SCHEMBL30195162 0.81 MEN1 (0.76) NPC1RAB9AMEN1KMT2AATM
SCHEMBL461985 0.81 MEN1 (0.76) NPC1RAB9AMEN1KMT2AATM
Hydrochloric Acid SCHEMBL8045707 0.79 MEN1 (0.73) NPC1RAB9AMEN1KMT2AATM
Hydrochloric Acid SCHEMBL8045709 0.79 MEN1 (0.73) NPC1RAB9AMEN1KMT2AATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113166119-B Substituted aryl compound and preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2024-01-05 CN claimed
JP-4838934-B2 2011-12-14 JP claimed
US-8044041-B2 e.g. 4-Chloro-1-hydroxy-phthalazine-6-carboxylic acid [4-chloro-3'-(2-dimethylamino-ethoxy)-biphenyl-3-yl]-amide; multifunctioning protein kinase inhibitors; anticarcinogenic, antiinflammatory, antidiabetic agent, neurodegenerative diseases FOREST LABORATORIES HOLDINGS LIMITED (BM) 2011-10-25 US claimed
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias ASTRAZENECA AB (SE) 2010-11-25 US claimed
EP-2131656-A2 PHTHALAZINE DERIVATIVES Forest Laboratories Holdings Limited (BM) 2009-12-16 EP claimed
EP-2081917-A2 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF Abbott Laboratories (US) 2009-07-29 EP claimed
EP-2049484-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS AstraZeneca AB (SE) 2009-04-22 EP claimed
US-20080161246-A1 Improving the pharmacokinetics of drugs such as antiviral agents that are metabolized by CYP enzymes; N-heterocyclic compounds containing carbamate group, where is excluded; 1,3-thiazol-5-ylmethyl 1,1-dibenzylbut-3-enylcarbamate for example ABBOTT LABORATORIES (US) 2008-07-03 US claimed
US-20080146547-A1 PHTHALAZINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-06-19 US claimed
WO-2008061108-A2 PHTHALAZINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-05-22 WO claimed
WO-1999031063-A1 NEW PIPERAZINYL-SUBSTITUTED PYRIDYLALKANE, ALKENE AND ALKINE CARBOXAMIDES KLINGE PHARMA GMBH (DE) 1999-06-24 WO claimed
EP-0912176-A1 USE OF PYRIDYL ALKANE, PYRIDYL ALKENE AND/OR PYRIDYL ALKINE ACID AMIDES IN THE TREATMENT OF TUMORS OR FOR IMMUNOSUPPRESSION Klinge Pharma GmbH (DE) 1999-05-06 EP claimed
US-5827863-A Pyrazole derivatives as angiotensin II antagonists J. URIACH & CIA, S.A. (ES) 1998-10-27 US claimed
EP-0721454-A1 NEW PYRAZOLE DERIVATIVES AS ANGIOTENSIN II ANTAGONIST J. URIACH & CIA. S.A. (ES) 1996-07-17 EP claimed
WO-1996004273-A1 NEW PYRAZOLE DERIVATIVES AS ANGIOTENSIN II ANTAGONIST J. URIACH & CIA, S.A. (ES) 1996-02-15 WO claimed
US-5189165-A PROCESS FOR THE PREPARATION OF 1,1-DISUBSTITUTED CYCLOPROPANE DERIVATIVES HOECHST AKTIENGESELLSCHAFT (DE) 1993-02-23 US claimed
EP-0435151-A2 Process for the preparation of 1,1-disubstituted cyclopropane derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1991-07-03 EP claimed
EP-0317749-A2 Substituted benzimidazoles and benzothiadiazoles AMERICAN CYANAMID COMPANY (US) 1989-05-31 EP claimed
EP-0237917-A2 1,1-Disubstituted cyclopropane derivatives, processes for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1987-09-23 EP claimed
US-4440685-A MUSCLE RELAXANTS, SEDATIVES, ANTICONVULSANTS HOFFMANN-LA ROCHE INC. (US) 1984-04-03 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20080161246-A1 Improving the pharmacokinetics of drugs such as antiviral agents that are metabolized by CYP enzymes; N-heterocyclic compounds containing carbamate group, where is excluded; 1,3-thiazol-5-ylmethyl 1,1-dibenzylbut-3-enylcarbamate for example CYP3A4, CYP3A5, CYP2B6 NPC1 183/4885RAB9A 2916/4885MEN1 4439/4885
US-20080146547-A1 PHTHALAZINE DERIVATIVES CDK5, HIPK2, PACSIN2 NPC1 2569/4885RAB9A 3930/4885MEN1 2282/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 NPC1 1060/4885RAB9A 899/4885MEN1 2400/4885

“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.