SCHEMBL255664

SCHEMBL255664

CC(=O)N[C@H](C)c1ccc(Br)cc1

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.71
SMN1; SMN2 Q16637 1/20 0.62
POLB P06746 1/20 0.58
ALDH1A1 P00352 2/20 0.57
LMNA P02545 1/20 0.57
ACACB O00763 6/20 0.53
ACACA Q13085 2/20 0.53

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
SCHEMBL255679 1.00 CYP1A2 (0.71) CYP1A2SMN1; SMN2POLBALDH1A1LMNA
SCHEMBL255663 1.00 CYP1A2 (0.71) CYP1A2SMN1; SMN2POLBALDH1A1LMNA
SCHEMBL5473681 0.86 SMN1; SMN2 (0.64) CYP1A2SMN1; SMN2POLBALDH1A1LMNA
SCHEMBL3985690 0.84 SMN1; SMN2 (0.67) CYP1A2SMN1; SMN2POLBALDH1A1LMNA
SCHEMBL619526 0.84 SMN1; SMN2 (0.67) CYP1A2SMN1; SMN2POLBALDH1A1LMNA
SCHEMBL2007222 0.84 SMN1; SMN2 (0.67) CYP1A2SMN1; SMN2POLBALDH1A1LMNA
SCHEMBL13778592 0.83 ACACB (0.56) ACACBACACA
SCHEMBL3721881 0.83 CYP1A2 (0.54) CYP1A2SMN1; SMN2POLBACACBACACA
SCHEMBL8309864 0.82 SMN1; SMN2 (0.60) CYP1A2SMN1; SMN2POLBALDH1A1LMNA
SCHEMBL14521538 0.82 SMN1; SMN2 (0.60) CYP1A2SMN1; SMN2POLBALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12454525-B2 IL4I1 inhibitors and methods of use MERCK SHARP & DOHME LLC (US) 2025-10-28 US disclosed
CN-115836054-B IL4I1 inhibitors and methods of use 默沙东有限责任公司 2024-12-10 CN disclosed
US-20230183214-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC 2023-06-15 US disclosed
US-20230183214-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC 2023-06-15 US disclosed
CN-115836054-A IL4I1 inhibitors and methods of use 默沙东有限责任公司 2023-03-21 CN disclosed
EP-4146644-A1 IL4I1 INHIBITORS AND METHODS OF USE Merck Sharp & Dohme LLC (US) 2023-03-15 EP disclosed
WO-2021226003-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME CORP. (US) 2021-11-11 WO disclosed
CN-106061480-B Therapeutic inhibitory compounds 莱福斯希医药公司 2020-02-28 CN disclosed
EP-2611771-B1 SUBSTITUTED HETEROARYL- AND ARYLALKYNYL BENZENE DERIVATIVES AS ACC-INHIBITORS FOR THE TREATMENT OF METABOLIC DISEASES BOEHRINGER INGELHEIM INT (DE) 2016-11-23 EP disclosed
CN-106061480-A Therapeutic inhibitory compounds 莱福斯希医药公司 2016-10-26 CN disclosed
WO-2012001107-A1 PIPERIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-05 WO disclosed
WO-2011080211-A1 PESTICIDAL ARYLPYRROLIDINES BAYER CROPSCIENCE AG (DE) 2011-07-07 WO disclosed
US-20110144056-A1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME CORP. 2011-06-16 US disclosed
US-7473790-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same PFIZER INC. (US) 2009-01-06 US disclosed
US-7473790-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same PFIZER INC. (US) 2009-01-06 US disclosed
US-7473790-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same PFIZER INC. (US) 2009-01-06 US disclosed
US-7217794-B2 Compounds and methods for treatment of thrombosis DAIAMED, INC. (US) 2007-05-15 US disclosed
US-7148226-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same AGOURON PHARMACEUTICALS, INC. (US) 2006-12-12 US disclosed
US-20060189681-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME AGOURON PHARMACEUTICALS, INC. 2006-08-24 US disclosed
US-20050176701-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same AGOURON PHARMACEUTICALS, INC. 2005-08-11 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-20230183214-A1 IL4I1 INHIBITORS AND METHODS OF USE IL4I1, IL4, IL2 CYP1A2 1172/4885SMN1; SMN2 3247/4885POLB 4386/4885
US-20110144056-A1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH FAAH, FAAH2, HRH2 CYP1A2 304/4885SMN1; SMN2 696/4885POLB 4297/4885
US-20060189681-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME RNASE1, RNASEH1, NSUN3 CYP1A2 164/4885SMN1; SMN2 3095/4885POLB 159/4885
US-20050176701-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same RNASE1, RNASEH1, NSUN3 CYP1A2 164/4885SMN1; SMN2 3095/4885POLB 159/4885
US-12454525-B2 IL4I1 inhibitors and methods of use IL4I1, IL4, IL2 CYP1A2 1172/4885SMN1; SMN2 3247/4885POLB 4386/4885

“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.