Sugi Predict

Sugi Predict / Compounds / SCHEMBL4134734

SCHEMBL4134734

SCHEMBL4134734

O=C(O)C1CC1c1cccc(Br)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 2/20 0.56
▸ HRH3 Q9Y5N1 1/20 0.54
▸ FFAR1 O14842 5/20 0.49
▸ HTR2A P28223 1/20 0.49
▸ HTR2C P28335 1/20 0.49
▸ HTR2B P41595 1/20 0.49
▸ HDAC4 P56524 2/20 0.49
▸ GRK2 P25098 1/20 0.46
▸ CASP6 P55212 1/20 0.46
▸ CASP8 Q14790 1/20 0.46
▸ CTDSP1 Q9GZU7 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.44
▸ SLC6A4 P31645 1/20 0.43
▸ SLC6A3 Q01959 1/20 0.43
▸ SLC9A1 P19634 2/20 0.42

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
SCHEMBL29302375 1.00 KDM1A (0.56) KDM1AHRH3FFAR1HTR2AHTR2C
SCHEMBL6902985 1.00 KDM1A (0.56) KDM1AHRH3FFAR1HTR2AHTR2C
SCHEMBL4134736 1.00 KDM1A (0.56) KDM1AHRH3FFAR1HTR2AHTR2C
SCHEMBL31330378 0.88 KDM1A (0.54) KDM1AHRH3FFAR1HTR2AHTR2C
SCHEMBL4134864 0.85 KDM1A (0.59) KDM1AHRH3HTR2AHTR2CHTR2B
SCHEMBL4134867 0.85 KDM1A (0.59) KDM1AHRH3HTR2AHTR2CHTR2B
SCHEMBL25606213 0.85 KDM1A (0.54) KDM1AHRH3HTR2AHTR2CHTR2B
SCHEMBL1817691 0.81 ROCK2 (0.49) KDM1AHRH3HTR2AHTR2CHTR2B
SCHEMBL4717135 0.81 SLC6A4 (0.57) KDM1AHRH3HTR2AHTR2CHTR2B
SCHEMBL1817686 0.81 ROCK2 (0.49) KDM1AHRH3HTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2742029-B1 N-(BENZIMIMDAZOL-2-YL)-CYCLOPROPANE CARBOXAMIDES AS LYSOPHOSPHATIDIC ACID ANTAGONISTS MERCK PATENT GMBH (DE) 2016-10-05 — — EP claimed
US-8912202-B2 N-(benzimimdazol-2-yl)-cyclopropane carboxamides as lysophosphatidic acid antagonists MERCK PATENT GMBH (DE) 2014-12-16 — — US claimed
US-20140228378-A1 N-(Benzimimdazol-2-yl)-Cyclopropane Carboxamides as Lysophosphatidic Acid Antagonists MERCK PATENT GMBH (DE) 2014-08-14 — — US claimed
EP-2742029-A1 N-(BENZIMIMDAZOL-2-YL)-CYCLOPROPANE CARBOXAMIDES AS LYSOPHOSPHATIDIC ACID ANTAGONISTS Merck Patent GmbH (DE) 2014-06-18 — — EP claimed
WO-2013020622-A1 N-(BENZIMIMDAZOL-2-YL)-CYCLOPROPANE CARBOXAMIDES AS LYSOPHOSPHATIDIC ACID ANTAGONISTS MERCK PATENT GMBH (DE) 2013-02-14 — — WO claimed
EP-1585749-B1 DIAZEPINOINDOLE DERIVATIVES AS KINASE INHIBITORS PFIZER (US) 2008-08-13 — — EP claimed
WO-2024112692-A1 CASITAS B-LINEAGE LYMPHOMA PROTOONCOGENE B (CBL-B) DEGRADING COMPOUNDS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. (US) 2024-05-30 — — WO disclosed
WO-2024112692-A1 CASITAS B-LINEAGE LYMPHOMA PROTOONCOGENE B (CBL-B) DEGRADING COMPOUNDS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. (US) 2024-05-30 — — WO disclosed
EP-3914256-B1 GPR35 MODULATORS PROMETHEUS BIOSCIENCES INC (US) 2024-05-29 — — EP disclosed
WO-2024026290-A1 NOVEL HETEROCYCLES AS sPLA2-X INHIBITORS CAYMAN CHEMICAL COMPANY INCORPORATED (US) 2024-02-01 — — WO disclosed
CN-117120429-A KHK inhibitor 吉利德科学公司 2023-11-24 — — CN disclosed
US-11802135-B2 Lysophosphatidic acid derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2023-10-31 — — US disclosed
US-11773101-B2 GPR35 modulators PROMETHEUS BIOSCIENCES, INC. (US) 2023-10-03 — — US disclosed
WO-2004048374-A1 4-OXO-1-(3-SUBSTITUTED PHENYL-1,4-DIHYDRO-1,8-NAPHTHYRIDINE-3-CARBOXAMIDE PHOSPHODIESTERASE-4 INHIBITORS MERCK FROSST CANADA & CO. (CA) 2004-06-10 — — WO disclosed
US-20020132794-A1 Compounds and methods for inhibition of HIV and related viruses MEDIVIR AB 2002-09-19 — — US disclosed
US-6376492-B1 GUANIDINE DERIVATIVES MEDIVIR AB (SE) 2002-04-23 — — US disclosed
US-5849769-A N-arylalkyl-N-heteroarylurea and guandine compounds and methods of treating HIV infection MEDIVIR AB (SE) 1998-12-15 — — US disclosed
EP-0706514-B1 COMPOUNDS AND METHODS FOR INHIBITION OF HIV AND RELATED VIRUSES MEDIVIR AB (SE) 1998-11-18 — — EP disclosed
EP-0706514-A1 COMPOUNDS AND METHODS FOR INHIBITION OF HIV AND RELATED VIRUSES MEDIVIR AB (SE) 1996-04-17 — — EP disclosed
WO-1995006034-A1 COMPOUNDS AND METHODS FOR INHIBITION OF HIV AND RELATED VIRUSES MEDIVIR AB (SE) 1995-03-02 — — 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-20140228378-A1 N-(Benzimimdazol-2-yl)-Cyclopropane Carboxamides as Lysophosphatidic Acid Antagonists LPAR5, LPAR2, LPAR1 KDM1A 814/4885HRH3 685/4885FFAR1 85/4885
US-11802135-B2 Lysophosphatidic acid derivative LPAR4, LPAR2, LPAR1 KDM1A 2361/4885HRH3 478/4885FFAR1 61/4885
US-11773101-B2 GPR35 modulators GPR35, GPR55, GPR65 KDM1A 4493/4885HRH3 454/4885FFAR1 29/4885
US-20020132794-A1 Compounds and methods for inhibition of HIV and related viruses POLRMT, POLM, POLR1E KDM1A 1796/4885HRH3 1608/4885FFAR1 4724/4885

“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.