Sugi Predict

Sugi Predict / Compounds / SCHEMBL1853517

SCHEMBL1853517

SCHEMBL1853517

CNC(=O)c1ccccc1Br

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.66
▸ GAA P10253 1/20 0.59
▸ KMT2A Q03164 3/20 0.57
▸ RAB9A P51151 3/20 0.56
▸ NPC1 O15118 2/20 0.56
▸ PLK1 P53350 1/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ MEN1 O00255 2/20 0.53
▸ POLB P06746 2/20 0.51
▸ HPGD P15428 2/20 0.51
▸ HTT P42858 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51

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
SCHEMBL28173495 0.91 ALDH1A1 (0.57) ALDH1A1GAAKMT2ARAB9ANPC1
SCHEMBL2344909 0.84 GAA (0.71) ALDH1A1GAAKMT2APLK1SMN1; SMN2
SCHEMBL30825401 0.83 ALDH1A1 (0.67) ALDH1A1GAAKMT2ARAB9ANPC1
SCHEMBL29473289 0.83 ALDH1A1 (0.71) ALDH1A1GAAKMT2ARAB9ANPC1
SCHEMBL28640185 0.82 SMN1; SMN2 (0.61) ALDH1A1GAAKMT2ARAB9ANPC1
SCHEMBL15103340 0.82 SMN1; SMN2 (0.61) ALDH1A1GAAKMT2ARAB9ANPC1
SCHEMBL2012174 0.82 PLK1 (0.50) ALDH1A1GAAKMT2ARAB9ANPC1
SCHEMBL145178 0.80 GAA (0.56) ALDH1A1GAAKMT2ARAB9ANPC1
SCHEMBL2062590 0.80 PLK1 (0.49) ALDH1A1GAAKMT2ARAB9ANPC1
SCHEMBL24820550 0.80 ALDH1A1 (1.00) ALDH1A1GAAKMT2ARAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4612134-A1 DIARYL DIAZOLE AND DIARYL TRIAZOLE DERIVATIVES FOR USE IN TREATING A DISEASE ASSOCIATED WITH KCNK13 ACTIVITY Cerevance, Inc. (US) 2025-09-10 — — EP disclosed
CN-120004754-A Preparation method of high-purity N-methyl halogenated benzamide 福州大学 2025-05-16 — — CN disclosed
WO-2024095005-A1 DIARYL DIAZOLE AND DIARYL TRIAZOLE DERIVATIVES FOR USE IN TREATING A DISEASE ASSOCIATED WITH KCNK13 ACTIVITY Cerevance, Inc. (US) 2024-05-10 — — WO disclosed
WO-2023232966-A1 MACROCYCLIC OREXIN RECEPTOR AGONISTS AND USES THEREOF JAZZ PHARMACEUTICALS IRELAND LIMITED (IE) 2023-12-07 — — WO disclosed
EP-4249480-A1 DIPHENYLPYRAZOLE COMPOUND, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Northwest A&F University (CN) 2023-09-27 — — EP disclosed
CN-115677616-A Macrocyclic sulfonamide compound, preparation method and medical application thereof 中国药科大学 2023-02-03 — — CN disclosed
CN-111732548-B N2-carbamyl aromatic ring-2-aminopyrimidine derivatives and medical application thereof 浙江大学 2022-06-17 — — CN disclosed
CN-114014790-A Synthesis method of selenide/thioether compound and synthesized compound 西安交通大学 2022-02-08 — — CN disclosed
CN-111269159-B Preparation method of chemical intermediate 2,2' -dithio-diphenylamide compound 上海交通大学 2021-11-02 — — CN disclosed
CN-112566636-A Compound and use thereof 优曼尼蒂治疗公司 2021-03-26 — — CN disclosed
US-20080262076-A1 Novel Tetracyclic Tetrahydrofuran Derivatives Containing Cyclic Amine Side Chain JANSSEN PHARMACEUTICA, NV (BE) 2008-10-23 — — US disclosed
US-7241759-B2 Benzo[1,2,5]thiadiazole compounds JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-10 — — US disclosed
US-20050043370-A1 HIV integrase inhibitors WALKER MICHAEL A (US) 2005-02-24 — — US disclosed
US-6803378-B2 FOR THERAPY AND PROPHYLAXIS OF ACQUIRED IMMUNE DEFICIENCY SYNDROME (AIDS), OR ARC BRISTOL-MYERS SQUIBB COMPANY 2004-10-12 — — US disclosed
US-20030181490-A1 HIV integrase inhibitors WALKER MICHAEL A (US) 2003-09-25 — — US disclosed
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 — — EP disclosed
EP-1322599-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-02 — — EP disclosed
US-20030027847-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-02-06 — — US disclosed
WO-2001096283-A9 HIV INTEGRASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2002-10-17 — — WO disclosed
WO-2001096283-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-12-20 — — 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 (4 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-20050043370-A1 HIV integrase inhibitors AKR1C3, CBR3, CBR1 ALDH1A1 1020/4885GAA 4268/4885KMT2A 1208/4885
US-20080262076-A1 Novel Tetracyclic Tetrahydrofuran Derivatives Containing Cyclic Amine Side Chain HTR2C, HTR2A, HTR5A ALDH1A1 848/4885GAA 2907/4885KMT2A 1892/4885
US-20030181490-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 ALDH1A1 239/4885GAA 3859/4885KMT2A 1330/4885
US-20030027847-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 ALDH1A1 239/4885GAA 3859/4885KMT2A 1330/4885

“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.