Sugi Predict

Sugi Predict / Compounds / SCHEMBL4845351

SCHEMBL4845351

SCHEMBL4845351

Nc1ccccc1C(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ CASP1 P29466 1/20 0.43
▸ CASP7 P55210 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ DPP4 P27487 2/20 0.42
▸ F2 P00734 1/20 0.42
▸ SLC6A2 P23975 3/20 0.41
▸ SLC6A4 P31645 3/20 0.41
▸ SLC6A3 Q01959 3/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ MTOR P42345 1/20 0.39
▸ PMP22 Q01453 1/20 0.39
▸ HTR2A P28223 1/20 0.39

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
SCHEMBL30589669 1.00 CYP3A4 (0.43) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL572997 0.95 CYP3A4 (0.43) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL21380569 0.91 TSHR (0.40) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL5512071 0.88 LMNA (0.43) CYP3A4SMN1; SMN2ALDH1A1CYP2C9CYP2C19
SCHEMBL21380576 0.86 MAOA (0.41) CYP3A4CASP1ALDH1A1CYP2C9CYP2C19
SCHEMBL30602819 0.86 CYP3A4 (0.39) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL901197 0.84 CYP3A4 (0.53) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL29438231 0.84 CYP3A4 (0.53) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL6414770 0.83 ALOX15 (0.46) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL24550469 0.81 SLC6A2 (0.50) DPP4F2SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115843293-B Tricyclic compound, preparation method and medical application thereof 中国医药研究开发中心有限公司 2025-01-24 — — CN disclosed
CN-115843293-A Tricyclic compound, preparation method and medical application thereof 中国医药研究开发中心有限公司 2023-03-24 — — CN disclosed
CN-113166103-B EGFR inhibitor and application thereof 江苏先声药业有限公司 2022-12-16 — — CN disclosed
CN-115433346-A Phenanthrenequinone alpha-diamine-based palladium catalyst and preparation method and application thereof 武汉工程大学 2022-12-06 — — CN disclosed
CN-113166103-A EGFR inhibitor and application thereof 江苏先声药业有限公司 2021-07-23 — — CN disclosed
CN-107827935-B α -diimine nickel complex with butanedione skeleton and preparation method and application thereof 常州大学 2020-04-28 — — CN disclosed
CN-108003094-B Ligand, preparation method thereof, nickel complex, preparation method thereof and application thereof 中国科学技术大学 2020-04-17 — — CN disclosed
US-20180305830-A1 METHOD FOR PRODUCING AMINO-FUNCTIONAL AROMATIC COMPOUNDS COVESTRO DEUTSCHLAND AG (DE) 2018-10-25 — — US disclosed
EP-3362588-A1 METHOD FOR PRODUCING AMINO-FUNCTIONAL AROMATIC COMPOUNDS Covestro Deutschland AG (DE) 2018-08-22 — — EP disclosed
US-9815694-B2 Catalytic ammonia synthesis by transition metal molecular complexes CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2017-11-14 — — US disclosed
CN-102558094-A Method for preparing ceftaroline side-chain acid UNIV ZHEJIANG TECHNOLOGY 2012-07-11 — — CN disclosed
US-20080177085-A1 Process for the Synthesis of a CPLA2 Inhibitor DEHNHARDT CHRISTOPH M 2008-07-24 — — US disclosed
US-7342119-B2 Process for the synthesis of a CPLA2 inhibitor WYETH HOLDINGS CORPORATION 2008-03-11 — — US disclosed
US-20070082364-A1 Antibody and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-04-12 — — US disclosed
US-20050070723-A1 Process for the synthesis of a CPLA2 inhibitor WYETH HOLDINGS CORPORATION (US) 2005-03-31 — — US disclosed
US-4945159-A Formation of lactams and other amides under mild conditions by action of cyanogen UNIVERSITY OF CINCINNATI (US) 1990-07-31 — — US disclosed
EP-0376724-A2 Cephalosporin compounds TANABE SEIYAKU CO., LTD. (JP) 1990-07-04 — — EP disclosed
EP-0261175-A4 FIBEROUS BATT AND METHOD FOR PRODUCING SUCH. FIBERLOK INC (US) 1988-07-14 — — EP disclosed
EP-0261175-A1 FIBEROUS BATT AND METHOD FOR PRODUCING SUCH FIBERLOK, INC. (US) 1988-03-30 — — EP disclosed
WO-1987005639-A1 FIBEROUS BATT AND METHOD FOR PRODUCING SUCH FIBERLOK, INC. (US) 1987-09-24 — — 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 (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-20050070723-A1 Process for the synthesis of a CPLA2 inhibitor PLAA, PLA2G4A, PLA2G12A CYP3A4 521/4885ALOX15 102/4885CASP1 1652/4885
US-20080177085-A1 Process for the Synthesis of a CPLA2 Inhibitor PLAA, PLA2G4A, PLA2G12A CYP3A4 521/4885ALOX15 102/4885CASP1 1652/4885
US-20180305830-A1 METHOD FOR PRODUCING AMINO-FUNCTIONAL AROMATIC COMPOUNDS DDC, BTD, BCAT1 CYP3A4 98/4885ALOX15 2936/4885CASP1 1385/4885

“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.