Sugi Predict

Sugi Predict / Compounds / SCHEMBL146892

SCHEMBL146892

SCHEMBL146892

Cc1cc(Br)cc(C)c1N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.58
▸ CYP3A4 P08684 4/20 0.58
▸ TSHR P16473 4/20 0.58
▸ TDP1 Q9NUW8 4/20 0.58
▸ TP53 P04637 2/20 0.58
▸ POLB P06746 2/20 0.48
▸ MAPK1 P28482 2/20 0.43
▸ GAA P10253 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ NQO2 P16083 1/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ ALOX15 P16050 2/20 0.35
▸ UHRF1 Q96T88 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CASP7 P55210 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ THRB P10828 1/20 0.33

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
SCHEMBL109929 0.86 CYP3A4 (0.43) ALDH1A1CYP3A4TSHRTDP1TP53
SCHEMBL159075 0.86 ALDH1A1 (0.43) ALDH1A1CYP3A4TSHRTDP1TP53
Bromide SCHEMBL28652019 0.84 CYP3A4 (0.42) ALDH1A1CYP3A4TSHRTDP1TP53
SCHEMBL760743 0.82 ALDH1A1 (0.40) ALDH1A1CYP3A4TSHRTDP1TP53
SCHEMBL5346206 0.82 CYP3A4 (0.40) ALDH1A1CYP3A4TSHRTDP1TP53
SCHEMBL999991 0.82 CD44 (0.41) ALDH1A1CYP3A4TSHRTDP1TP53
SCHEMBL29617503 0.82 CD44 (0.41) ALDH1A1CYP3A4TSHRTDP1TP53
SCHEMBL1697593 0.82 ALDH1A1 (0.42) ALDH1A1CYP3A4TSHRTDP1TP53
SCHEMBL15423979 0.80 CYP3A4 (0.43) ALDH1A1CYP3A4TSHRTDP1TP53
Bromide SCHEMBL2026165 0.80 CD44 (0.39) ALDH1A1CYP3A4TSHRTDP1TP53

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 1132 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119798252-A Method for preparing N-ortho-acyl substituted nitrogen-containing heterocyclic compound and amine-shrinking iron (II) complex thereof 中国石油化工股份有限公司 2025-04-11 — — CN claimed
CN-119143751-A N-ortho-acyl substituted nitrogen-containing heterocyclic compound and preparation method of amine-shrinking iron (II) complex thereof 中国石油化工股份有限公司 2024-12-17 — — CN claimed
CN-119143750-A Preparation method of N-ortho-alkyl substituted 1, 10-phenanthroline compound and catalyst prepared by same 中国石油化工股份有限公司 2024-12-17 — — CN claimed
CN-118530144-A Paen Jia preparation method of beach 中国医学科学院药物研究所 2024-08-23 — — CN claimed
CN-117756670-A Synthesis method of rilpivirine intermediate 苏州莱克施德药业有限公司 2024-03-26 — — CN claimed
CN-112010810-B Method for preparing high-purity rilpivirine intermediate by one-pot method 瑞阳制药股份有限公司 2024-01-30 — — CN claimed
CN-117024513-A Synthesis method of eptifibatide 杭州信海医药科技有限公司 2023-11-10 — — CN claimed
CN-116969891-A Synthesis method of 7-methyl-5-aldehyde-1H-indazole 杭州国瑞生物科技有限公司 2023-10-31 — — CN claimed
CN-115856127-A Method for detecting genotoxic impurities in rilpivirine hydrochloride 瑞阳制药股份有限公司 2023-03-28 — — CN claimed
US-11111207-B2 One pot, one step process for the halogenation of aromatics using solid acid catalysts COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2021-09-07 — — US claimed
US-20060155121-A1 Substituted aniline derivatives H. LUNDBECK A/S (DK) 2006-07-13 — — US claimed
WO-2006029623-A1 SUBSTITUTED ANILINE DERIVATIVES H. LUNDBECK A/S (DK) 2006-03-23 — — WO claimed
EP-1066269-B1 TRISUBSTITUTED 1,3,5-TRIAZINE DERIVATIVES FOR TREATMENT OF HIV INFECTIONS JANSSEN PHARMACEUTICA NV (BE) 2005-05-11 — — EP claimed
CN-1157386-C Trisubstituted 1,3,5-triazine derivatives for treatment by HIV infections ղɭҩҵ���޹�˾ 2004-07-14 — — CN claimed
US-20020115668-A1 Trisubstituted 1,3,5-triazine derivatives DAEYAERT FREDERIK FRANS DESIRE (BE) 2002-08-22 — — US claimed
CN-1295566-A Trisubstituted 1,3,5-triazine derivatives for treatment by HIV infections JANSSEN PHARMACEUTICA NV (BE) 2001-05-16 — — CN claimed
EP-1066269-A1 TRISUBSTITUTED 1,3,5-TRIAZINE DERIVATIVES FOR TREATMENT OF HIV INFECTIONS JANSSEN PHARMACEUTICA N.V. (BE) 2001-01-10 — — EP claimed
US-6150360-A ADMINISTERING TO A PATIENT SUFFERING FROM HUMAN IMMUNODEFICIENCY VIRUS INFECTION A TRISUBSTITUTED 1,3,5-TRIAZINE DERIVATIVE JANSSEN PHARMACEUTICA N.V. (BE) 2000-11-21 — — US claimed
EP-0674232-B1 Recording sheets XEROX CORP (US) 2000-05-31 — — EP claimed
WO-1999050256-A1 TRISUBSTITUTED 1,3,5-TRIAZINE DERIVATIVES FOR TREATMENT OF HIV INFECTIONS JANSSEN PHARMACEUTICA N.V. (BE) 1999-10-07 — — WO 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-20020115668-A1 Trisubstituted 1,3,5-triazine derivatives XDH, CCR5, CXCR1 ALDH1A1 3722/4885CYP3A4 174/4885TSHR 656/4885
US-11111207-B2 One pot, one step process for the halogenation of aromatics using solid acid catalysts TYR, PAH, ABL1 ALDH1A1 147/4885CYP3A4 50/4885TSHR 202/4885
US-20060155121-A1 Substituted aniline derivatives UGT2B7, NAT1, CYP1A2 ALDH1A1 178/4885CYP3A4 29/4885TSHR 2142/4885

“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.