SCHEMBL4427861

SCHEMBL4427861

O=Cc1ccc(Br)cc1OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 3/20 0.50
▸ SLC6A4 P31645 1/20 0.50
▸ PTPN1 P18031 1/20 0.50
▸ USP2 O75604 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ USP28 Q96RU2 1/20 0.49
▸ USP25 Q9UHP3 1/20 0.49
▸ CCNB2 O95067 1/20 0.49
▸ CDK1 P06493 1/20 0.49
▸ CDK4 P11802 1/20 0.49
▸ CCNB1 P14635 1/20 0.49
▸ CCND1 P24385 1/20 0.49
▸ CCNB3 Q8WWL7 1/20 0.49
▸ MAOB P27338 2/20 0.49
▸ PTP4A3 O75365 1/20 0.48
▸ HTT P42858 2/20 0.48
▸ PTGDR2 Q9Y5Y4 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ RAB9A P51151 2/20 0.46

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
SCHEMBL82269 0.88 PTGDR2 (0.61) CCR5SLC6A4PTPN1USP2LMNA
SCHEMBL29690396 0.88 PTGDR2 (0.61) CCR5SLC6A4PTPN1USP2LMNA
SCHEMBL12953423 0.86 MAOB (0.49) CCR5LMNAMAOBMAOA
SCHEMBL30679658 0.85 CCR5 (0.59) CCR5SLC6A4
SCHEMBL23017937 0.84 CCR5 (0.50) CCR5SLC6A4PTPN1USP2LMNA
SCHEMBL865350 0.83 MAOA (0.58) PTPN1CCNB2CDK1CDK4CCNB1
SCHEMBL13956364 0.83 ERN1 (0.52) LMNACCNB2CDK1CDK4CCNB1
SCHEMBL13580973 0.82 ALDH1A1 (0.46) SLC6A4HTTPTGDR2ALDH1A1SMN1; SMN2
SCHEMBL31001958 0.82 HDAC8 (0.54) CCR5LMNAMAOBALDH1A1SMN1; SMN2
SCHEMBL15056730 0.82 CCR5 (0.48) CCR5SLC6A4PTPN1USP2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008057948-A2 PROCESSES FOR PRODUCTION OF DIPHENYLYLAZETIDIN-2-ONES AND RELATED COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. (US) 2008-05-15 — — WO claimed
EP-4698520-A1 RAF-MEK PROTEIN COMPLEX MODULATORS AND METHODS OF USE THEREOF Gandeeva Therapeutics, Inc. (US) 2026-02-25 — — EP disclosed
WO-2024220708-A1 RAF-MEK PROTEIN COMPLEX MODULATORS AND METHODS OF USE THEREOF GANDEEVA THERAPEUTICS, INC. (US) 2024-10-24 — — WO disclosed
CN-118302417-A NLRP3 inhibitors PTC医疗公司 2024-07-05 — — CN disclosed
EP-4392414-A1 INHIBITORS OF NLRP3 PTC Therapeutics, Inc. (US) 2024-07-03 — — EP disclosed
WO-2023028534-A1 INHIBITORS OF NLRP3 PTC THERAPEUTICS, INC. (US) 2023-03-02 — — WO disclosed
US-10093630-B2 Pyrazole compounds and methods of making and using same ABIDE THERAPEUTICS, INC. (US) 2018-10-09 — — US disclosed
US-20170190669-A1 PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME H. LUNDBECK A/S (DK) 2017-07-06 — — US disclosed
WO-2015179559-A2 PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME ABIDE THERAPEUTICS, INC. (US) 2015-11-26 — — WO disclosed
US-20090186834-A1 DIPHENYLHETEROCYCLE CHOLESTEROL ABSORPTION INHIBITORS MICROBIA, INC. (US) 2009-07-23 — — US disclosed
WO-2008039829-A2 DIPHENYLHETEROCYCLE CHOLESTEROL ABSORPTION INHIBITORS IRONWOOD PHARMACEUTICALS, INC. (US) 2008-04-03 — — WO disclosed
WO-2006102674-A2 DIPHENYLHETEROCYCLE CHOLESTEROL ABSORPTION INHIBITORS MICROBIA, INC. (US) 2006-09-28 — — WO disclosed
EP-0773930-B1 AROMATIC AMINO ETHERS AS PAIN RELIEVING AGENTS ZENECA LTD (GB) 2000-10-11 — — EP disclosed
EP-0733033-B1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LTD (GB) 1999-12-22 — — EP disclosed
US-5843942-A Aromatic amino ethers as pain relieving agents ZENECA LIMITED (GB) 1998-12-01 — — US disclosed
US-5811459-A PAIN RELIEVERS ZENECA LIMITED (GB) 1998-09-22 — — US disclosed
EP-0773930-A1 AROMATIC AMINO ETHERS AS PAIN RELIEVING AGENTS ZENECA LIMITED (GB) 1997-05-21 — — EP disclosed
EP-0733033-A1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LIMITED (GB) 1996-09-25 — — EP disclosed
WO-1996011902-A1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LIMITED (GB) 1996-04-25 — — WO disclosed
WO-1996003380-A1 AROMATIC AMINO ETHERS AS PAIN RELIEVING AGENTS ZENECA LIMITED (GB) 1996-02-08 — — 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 (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-20170190669-A1 PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME ABHD6, FAAH, FAAH2 CCR5 4534/4885SLC6A4 3345/4885PTPN1 4189/4885
US-10093630-B2 Pyrazole compounds and methods of making and using same ABHD6, FAAH, FAAH2 CCR5 4534/4885SLC6A4 3345/4885PTPN1 4189/4885
US-20090186834-A1 DIPHENYLHETEROCYCLE CHOLESTEROL ABSORPTION INHIBITORS NPC1L1, CYP46A1, NPC1 CCR5 1774/4885SLC6A4 3627/4885PTPN1 1006/4885

“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.

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