SCHEMBL171357

SCHEMBL171357

Cc1ccc(-c2ccccc2)cc1N

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
MAPT P10636 5/20 0.57
KDM4E B2RXH2 3/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
HPGD P15428 2/20 0.57
HSD17B10 Q99714 2/20 0.57
LMNA P02545 2/20 0.57
USP2 O75604 1/20 0.57
HSP90AA1 P07900 1/20 0.57
GAA P10253 1/20 0.57
ALOX15 P16050 1/20 0.57
ALOX12 P18054 1/20 0.57
HTT P42858 1/20 0.57
TDP1 Q9NUW8 6/20 0.50
CYP3A4 P08684 4/20 0.50
CASP1 P29466 3/20 0.50
TSHR P16473 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.49

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
Hydrochloric Acid SCHEMBL29995179 0.94 ALDH1A1 (0.52) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL6866139 0.88 CYP3A4 (0.62) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL31661348 0.88 CYP3A4 (0.62) ALDH1A1MAPTKDM4EMEN1KMT2A
Biphenyl SCHEMBL28379181 0.84 ALDH1A1 (0.74) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL3790988 0.84 CASP1 (0.65) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL13115650 0.84 TDP1 (0.65) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL3792051 0.83 CASP1 (0.58) ALDH1A1MEN1TDP1CYP3A4CASP1
SCHEMBL19541226 0.82 ALDH1A1 (0.55) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL807858 0.82 TDP1 (0.77) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL8942955 0.82 ALDH1A1 (0.41) ALDH1A1MAPTKDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2050749-B1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI PHARMACEUTICAL CO LTD (JP) 2017-11-22 EP claimed
US-20100069629-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-03-18 US claimed
EP-2050749-A1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-04-22 EP claimed
US-7009052-B2 Sulfonamide derivatives WARNER LAMBERT COMPANY LLC (US) 2006-03-07 US claimed
US-20050004367-A1 Sulfonamide derivatives DU DANIEL Y (US) 2005-01-06 US claimed
WO-2025100475-A1 COMPOSITION FOR IMAGE RECORDING AND METHOD FOR PRODUCING SAME キヤノン株式会社 2025-05-15 WO disclosed
CN-113683518-B Aromatic amine derivative organic electroluminescent material and device thereof 北京夏禾科技有限公司 2025-05-06 CN disclosed
CN-119306730-A Cyclic ether modified 3-cyano-4-arylaminoquinoline derivative as well as preparation method and application thereof 河北医科大学 2025-01-14 CN disclosed
CN-113683517-B Aromatic amine derivative organic electroluminescent material and device thereof 北京夏禾科技有限公司 2025-01-10 CN disclosed
CN-112430189-B Pyrene organic electroluminescent material containing aromatic amine substitution 北京夏禾科技有限公司 2024-03-29 CN disclosed
US-11937499-B2 Aromatic amine derivative and organic electroluminescent devices containing the same Beijing Summer Sprout Technology Co., Ltd. (CN) 2024-03-19 US disclosed
CN-113410401-B Organic electroluminescent device comprising deep LUMO hole injection material and aromatic amine derivative 北京夏禾科技有限公司 2023-09-05 CN disclosed
US-20040029902-A1 Antiinflamamtory agents MIDCAP FINANCIAL TRUST 2004-02-12 US disclosed
US-20030229068-A1 2-oxo-1,3,4-trihydroquinazolinyl derivatives and methods of use AMGEN INC. 2003-12-11 US disclosed
WO-2003063794-A2 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2003-08-07 WO disclosed
US-4670566-A ANTIIFLAMMATORY AGENTS, ANTICOAGULANTS A. H. ROBINS COMPANY, INCORPORATED (US) 1987-06-02 US disclosed
EP-0089426-B1 2-AMINO-6-BIPHENYLACETIC ACIDS A.H. ROBINS COMPANY, INCORPORATED (US) 1986-06-11 EP disclosed
US-4440785-A Methods of using 2-aminobiphenylacetic acids, esters, and metal salts thereof to treat inflammation A. H. ROBINS COMPANY, INC. (US) 1984-04-03 US disclosed
EP-0089426-A1 2-Amino-6-biphenylacetic acids A.H. ROBINS COMPANY, INCORPORATED (US) 1983-09-28 EP disclosed
US-4333951-A MUSCLE RELAXANTS, ANTIINFLAMMATORY AGENTS A. H. ROBINS COMPANY, INC. (US) 1982-06-08 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-20050004367-A1 Sulfonamide derivatives AR, SULT2A1, SHBG ALDH1A1 841/4885MAPT 3401/4885KDM4E 1224/4885
US-20040029902-A1 Antiinflamamtory agents FCER2, FCGR1A, HNMT ALDH1A1 2723/4885MAPT 4330/4885KDM4E 2664/4885
US-20100069629-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITOR AND USE THEREOF PIK3CA, AKT3, AKT1 ALDH1A1 2102/4885MAPT 4385/4885KDM4E 2852/4885
US-11937499-B2 Aromatic amine derivative and organic electroluminescent devices containing the same TYR, DDC, AOC2 ALDH1A1 232/4885MAPT 276/4885KDM4E 146/4885
US-20030229068-A1 2-oxo-1,3,4-trihydroquinazolinyl derivatives and methods of use CASP3, BAX, BAD ALDH1A1 271/4885MAPT 4168/4885KDM4E 1697/4885

“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.