SCHEMBL409478

SCHEMBL409478

Clc1ccc2c(c1)OCO2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.56
AHR P35869 2/20 0.54
CYP3A4 P08684 1/20 0.54
NPC1 O15118 6/20 0.53
RAB9A P51151 6/20 0.53
MAP2K4 P45985 1/20 0.51
KMT2A Q03164 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
MEN1 O00255 2/20 0.50
TP53 P04637 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MAPT P10636 3/20 0.49
MAOA P21397 2/20 0.49
MAPK1 P28482 2/20 0.49
LMNA P02545 1/20 0.49
ALDH1A1 P00352 3/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL29826933 1.00 MAOB (0.56) MAOBAHRCYP3A4NPC1RAB9A
SCHEMBL3072209 0.85 MAOB (0.56) MAOBAHRNPC1RAB9AKMT2A
Propionic Acid SCHEMBL9056617 0.82 ALDH1A1 (0.51) MAOBCYP3A4NPC1RAB9AKMT2A
SCHEMBL14501847 0.79 LMNA (0.59) MAOBAHRNPC1RAB9AKMT2A
SCHEMBL6714496 0.79 MAOB (0.43) MAOBAHRCYP3A4NPC1RAB9A
SCHEMBL11432359 0.78 MAP2K4 (0.46) MAOBAHRNPC1RAB9AMAP2K4
SCHEMBL13561062 0.78 CYP19A1 (0.69) MAOBCYP3A4NPC1RAB9AKMT2A
SCHEMBL14919902 0.76 AR (0.51) CYP3A4NPC1RAB9AMAP2K4KMT2A
SCHEMBL6966149 0.76 MAOB (0.55) MAOBNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL11396839 0.75 CYP3A4 (0.54) MAOBCYP3A4NPC1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12594261-B2 Use of heterocyclic derivatives with cardiomyocyte proliferation activity for treatment of heart diseases SHANGHAI EAST HOSPITAL (EAST HOSPITAL, TONGJI UNIVERSITY SCHOOL OF MEDICINE) (CN) 2026-04-07 US claimed
CN-116589442-A Preparation method of sesamol 济南鸿湾生物技术有限公司 2023-08-15 CN claimed
CN-103275072-B The preparation method of saracatinib SUZHOU MINGYUE MEDICAL TECHNOLOGY CO., LTD. (CN) 2016-01-20 CN claimed
CN-103275072-A Preparation method of saracatinib SUZHOU MINGYUE MEDICAL TECHNOLOGY CO LTD 2013-09-04 CN claimed
CN-101243030-B Method for producing 4-halocatechol compound UBE INDUSTRIES, LTD. (JP) 2012-02-01 CN claimed
EP-2029614-A2 COLD MENTHOL RECEPTOR-1 ANTAGONISTS Janssen Pharmaceutica, N.V. (BE) 2009-03-04 EP claimed
CN-101243030-A Method for producing 4-halocatechol compound UBE INDUSTRIES (JP) 2008-08-13 CN claimed
WO-2007134107-A2 COLD MENTHOL RECEPTOR-1 ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-22 WO claimed
US-12492193-B2 Pyrazole derivatives for the treatment of cystic fibrosis FONDAZIONE INSTITUTO ITALIANO DI TECNOLOGIA (IT) 2025-12-09 US disclosed
CN-118891065-A Anticancer therapy using radioactive PARP inhibitors 癌症研究技术有限公司 2024-11-01 CN disclosed
CN-116589442-A Preparation method of sesamol 济南鸿湾生物技术有限公司 2023-08-15 CN disclosed
CN-116589442-A Preparation method of sesamol 济南鸿湾生物技术有限公司 2023-08-15 CN disclosed
US-20230212157-A1 PYRAZOLE DERIVATIVES FOR THE TREATMENT OF CYSTIC FIBROSIS ISTITUTO GIANNINA GASLINI (IT) 2023-07-06 US disclosed
US-11639355-B2 Substituted pyrrolo[3,4-d]imidazoles as MDM2-p53 inhibitors Luoxin Pharmaceutical (Shanghai) Co., Ltd. (CN) 2023-05-02 US disclosed
US-5716954-A ANTIINFLAMMATORY AGENT, ANTIHISTAMINES, IMMUNOSUPPRESSION,AUTOIMMUNE DISEASES SYNTEX U.S.A. INC. (US) 1998-02-10 US disclosed
CN-1143644-A N-[(1,4-diazadicyclo [2,2,2] oct -2-yl methyl] benzoic amide derivatives, its preparing process and medicinal use SYNTHELABO (FR) 1997-02-26 CN disclosed
EP-0612321-A1 PYRIDO PYRIDAZINONE AND PYRIDAZINTHIONE COMPOUNDS WITH PDE IV INHIBITING ACTIVITY SYNTEX (U.S.A.) INC. (US) 1994-08-31 EP disclosed
WO-1993007146-A1 BENZO AND PYRIDO PYRIDAZINONE AND PYRIDAZINTHIONE COMPOUNDS WITH PDE IV INHIBITING ACTIVITY SYNTEX (U.S.A.) INC. (US) 1993-04-15 WO disclosed
US-4058607-A DIHALOVINYL DIALKYL PHOSPHATE, 1,3-BENZODIOXOLES AIRWICK INDUSTRIES, INC. (US) 1977-11-15 US disclosed
US-3962415-A Insecticide evaporator comprising DDVP with synergized benzodioxole compound as stabilizer AIRWICK INDUSTRIES, INC. (US) 1976-06-08 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 (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-20230212157-A1 PYRAZOLE DERIVATIVES FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, ABCC5, ABCC1 MAOB 3977/4885AHR 804/4885CYP3A4 187/4885
US-11639355-B2 Substituted pyrrolo[3,4-d]imidazoles as MDM2-p53 inhibitors TP53, MDM2, TP53BP1 MAOB 3562/4885AHR 1570/4885CYP3A4 802/4885
US-12492193-B2 Pyrazole derivatives for the treatment of cystic fibrosis CFTR, ABCC5, ABCC1 MAOB 3977/4885AHR 804/4885CYP3A4 187/4885
US-12594261-B2 Use of heterocyclic derivatives with cardiomyocyte proliferation activity for treatment of heart diseases TNNT2, TNNI3, CCNO MAOB 351/4885AHR 489/4885CYP3A4 2048/4885

“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.