SCHEMBL2543902

SCHEMBL2543902

CNc1ccc(-c2ccc(N)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.58
ALDH1A1 P00352 3/20 0.58
TDP1 Q9NUW8 2/20 0.58
TP53 P04637 2/20 0.58
KIF11 P52732 2/20 0.52
HSD17B10 Q99714 2/20 0.48
TAAR1 Q96RJ0 1/20 0.48
TSHR P16473 1/20 0.43
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
HTR6 P50406 1/20 0.42
MAPT P10636 4/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX12 P18054 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 2/20 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
SCHEMBL20048273 1.00 CYP3A4 (0.58) CYP3A4ALDH1A1TDP1TP53KIF11
Benzidine SCHEMBL7896409 1.00 CYP3A4 (0.58) CYP3A4ALDH1A1TDP1TP53KIF11
Methane SCHEMBL29193641 0.97 CYP3A4 (0.55) CYP3A4ALDH1A1TDP1TP53KIF11
SCHEMBL525926 0.92
Hydrochloric Acid SCHEMBL1154858 0.89 TSHR (0.48) CYP3A4ALDH1A1TDP1TP53KIF11
Hydrochloric Acid SCHEMBL6010014 0.89 TSHR (0.48) CYP3A4ALDH1A1TDP1TP53KIF11
Ammonia Solution, Strong SCHEMBL11052046 0.89 TSHR (0.48) CYP3A4ALDH1A1TDP1TP53KIF11
SCHEMBL5147226 0.86 KIF11 (0.64) CYP3A4ALDH1A1TP53KIF11HSD17B10
SCHEMBL7011380 0.85 CYP3A4 (0.45) CYP3A4ALDH1A1TDP1TP53KIF11
SCHEMBL8942483 0.84 MAPT (0.61) CYP3A4ALDH1A1TDP1TP53HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117529520-A Fluoroelastomer compositions containing curative 杜邦特种产品美国有限公司 2024-02-06 CN disclosed
CN-114904527-B Method for preparing N-monomethyl aromatic amine compound by catalyzing methanol 华北电力大学 2023-05-26 CN disclosed
CN-114904527-A Method for preparing N-monomethyl arylamine compound by catalyzing methanol 华北电力大学 2022-08-16 CN disclosed
WO-2020223243-A1 METHOD FOR IMPROVING CEMENT TOUGHNESS SAUDI ARABIAN OIL COMPANY (SA) 2020-11-05 WO disclosed
CN-111448510-A Liquid crystal aligning agent, liquid crystal alignment film, liquid crystal element, and method for producing liquid crystal element JSR株式会社 2020-07-24 CN disclosed
CN-111433665-A Liquid crystal aligning agent, liquid crystal alignment film, liquid crystal element, and method for producing liquid crystal element JSR株式会社 2020-07-17 CN disclosed
EP-2799516-B1 LIQUID CRYSTAL MATERIAL OF SMECTIC PHASE IN HIGH SCATTERING STATE AND DISPLAY DEVICE THEREOF HALATION PHOTONICS CORP (CN) 2019-02-20 EP disclosed
EP-3083631-B1 WNT PATHWAY MODULATORS AGENCY SCIENCE TECH & RES (SG) 2018-06-13 EP disclosed
US-20170305904-A1 COMPOUNDS FOR INHIBITING DRUG-RESISTANT STRAINS OF HIV-1 INTEGRASE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERV (US) 2017-10-26 US disclosed
US-9676771-B2 Compounds for inhibiting drug-resistant strains of HIV-1 integrase THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2017-06-13 US disclosed
US-4868253-A SUBSTRATE FOR ELECTROLESS METAL PLATING INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1989-09-19 US disclosed
EP-0123954-B1 STRUCTURE CONTAINING A LAYER CONSISTING OF POLYIMIDE AND AN INORGANIC FILLER AND METHOD FOR PRODUCING SUCH A STRUCTURE International Business Machines Corporation (US) 1989-08-02 EP disclosed
US-4670325-A POLYAMIDE IMIDE COPOLYMER WITH ALUMINUM OXIDE-ZINC OXIDE FILL ER IBM CORPORATION (US) 1987-06-02 US disclosed
EP-0097227-B1 SCREENABLE AND STRIPPABLE SOLDER MASK COMPOSITION AND PROCESS FOR THE PREPARATION OF A STRIPPABLE SOLDER MASK International Business Machines Corporation (US) 1986-08-27 EP disclosed
EP-0123954-A2 Structure containing a layer consisting of polyimide and an inorganic filler and method for producing such a structure International Business Machines Corporation (US) 1984-11-07 EP disclosed
EP-0097227-A2 Screenable and strippable solder mask composition and process for the preparation of a strippable solder mask International Business Machines Corporation (US) 1984-01-04 EP disclosed
US-4352696-A Process and composition THE UPJOHN COMPANY (US) 1982-10-05 US disclosed
US-4257995-A STORAGE STABILITY THE UPJOHN COMPANY (US) 1981-03-24 US disclosed
US-4246147-A Screenable and strippable solder mask and use thereof INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1981-01-20 US disclosed
EP-0019802-A2 Soldering mask composition to be processed by a screen printing process and subsequently removed and process for producing a removable soldering mask International Business Machines Corporation (US) 1980-12-10 EP 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-20170305904-A1 COMPOUNDS FOR INHIBITING DRUG-RESISTANT STRAINS OF HIV-1 INTEGRASE CCR8, CDK8, CHD8 CYP3A4 836/4885ALDH1A1 2902/4885TDP1 2154/4885

“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.