SCHEMBL2828847

SCHEMBL2828847

Cn1c(C(=O)O)cc2ccc(Cl)cc21

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 2/20 0.62
▸ GPR35 Q9HC97 1/20 0.57
▸ CCR9 P51686 4/20 0.53
▸ KDM4E B2RXH2 2/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ HPGD P15428 2/20 0.53
▸ HSD17B10 Q99714 2/20 0.53
▸ CCR2 P41597 5/20 0.52
▸ RHEB Q15382 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ RXFP1 Q9HBX9 1/20 0.49
▸ PHGDH O43175 1/20 0.46
▸ KMO O15229 1/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45

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
SCHEMBL31623397 1.00 MCL1 (0.62) MCL1GPR35CCR9KDM4EALDH1A1
SCHEMBL31623400 1.00 MCL1 (0.62) MCL1GPR35CCR9KDM4EALDH1A1
SCHEMBL3499318 0.87 MCL1 (0.55) MCL1GPR35CCR9KDM4EALDH1A1
SCHEMBL43328 0.86 KDM4E (0.66) MCL1GPR35KDM4EALDH1A1HPGD
SCHEMBL29834934 0.82 L3MBTL1 (0.57) MCL1CCR9KDM4EALDH1A1HPGD
SCHEMBL20646750 0.82 RXFP1 (0.46) MCL1CCR9CCR2RXFP1PHGDH
SCHEMBL4833633 0.82 L3MBTL1 (0.57) MCL1CCR9KDM4EALDH1A1HPGD
SCHEMBL8959246 0.81 RXFP1 (0.55) CCR9KDM4EALDH1A1CCR2RXFP1
SCHEMBL10254076 0.81 MCL1 (0.64) MCL1GPR35CCR9KDM4EALDH1A1
SCHEMBL3061835 0.81 MCL1 (0.64) MCL1GPR35KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4511835-B2 — — 2010-07-28 — — JP claimed
US-7273856-B2 Linear basic compounds having NK-2 antagonist activity and formulations thereof MENARINI RICERCHE S.P.A. (IT) 2007-09-25 — — US claimed
EP-1442050-B1 LINEAR BASIC COMPOUNDS HAVING NK-2 ANTAGONIST ACTIVITY AND FORMULATIONS THEREOF MALESCI SAS (IT) 2006-09-13 — — EP claimed
US-20040259930-A1 Linear basic compounds having nk-2 antagonist activity and formulations thereof MALESCI INSTITUTO FARMACOBIOLOGICO S.P.A. (IT) 2004-12-23 — — US claimed
EP-1442050-A2 LINEAR BASIC COMPOUNDS HAVING NK-2 ANTAGONIST ACTIVITY AND FORMULATIONS THEREOF MALESCI ISTITUTO FARMACOBIOLOGICO S.p.A. (IT) 2004-08-04 — — EP claimed
US-6759428-B2 SUCH AS N-((1,2)-2-(((CYANO(CYCLOPROPYL)METHYL)AMINO)CARBONYL) CYCLOHEXYL)-1H-INDOLE-2-CARBOXAMIDE; CATHEPSIN K INHIBITORS ROCHE PALO ALTO LLC 2004-07-06 — — US claimed
US-20040077646-A1 Indole nitriles ROCHE PALO ALTO LLC 2004-04-22 — — US claimed
WO-2003037916-A2 LINEAR BASIC COMPOUNDS HAVING NK-2 ANTAGONIST ACTIVITY AND FORMULATIONS THEREOF MALESCI ISTITUTO FARMACOBIOLOGICO S.P.A. (IT) 2003-05-08 — — WO claimed
WO-2025129023-A1 INDOLE AMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS RECTIFY PHARMACEUTICALS, INC. (US) 2025-06-19 — — WO disclosed
US-12065428-B2 Anti-viral compounds ALIGOS THERAPEUTICS, INC. (US) 2024-08-20 — — US disclosed
US-20230140238-A1 ANTI-VIRAL COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-05-04 — — US disclosed
WO-2023043816-A1 ANTI-VIRAL COMPOUNDS FOR TREATING CORONAVIRUS, PICORNAVIRUS, AND NOROVIRUS INFECTIONS ALIGOS THERAPEUTICS, INC. (US) 2023-03-23 — — WO disclosed
US-10849881-B2 Octahydro-cyclobuta[1,2-c;3,4-c′]dipyrrol-2-yl HOFFMANN-LA ROCHE INC. (US) 2020-12-01 — — US disclosed
US-20180280352-A1 OCTAHYDRO-CYCLOBUTA[1,2-c;3,4-c']DIPYRROL-2-YL HOFFMANN-LA ROCHE INC. (US) 2018-10-04 — — US disclosed
EP-1148881-A1 USE OF PYRIDAZINO [4,5-(b)]-INDOLE-1-ACETAMIDE DERIVATIVES FOR PREPARING MEDICINES FOR TREATING DISEASES RELATED TO THE DYSFUNCTION OF PERIPHERAL BENZODIAZEPIN RECEPTORS Sanofi-Aventis (FR) 2001-10-31 — — EP disclosed
CN-1265108-A 4-oxo-3,5-dihydro-4H-pyridazino [4,5-b]-indole-1-acetamide derivatives, their prepn. and their application in therapy SANOFI SYNTHELABO (FR) 2000-08-30 — — CN disclosed
WO-2000044384-A1 USE OF PYRIDAZINO[4,5-b]INDOLE-1-ACETAMIDE DERIVATIVES FOR PREPARING MEDICINES FOR TREATING DISEASES RELATED TO THE DYSFUNCTION OF PERIPHERAL BENZODIAZEPIN RECEPTORS SANOFI-SYNTHELABO (FR) 2000-08-03 — — WO disclosed
WO-2000044751-A1 4-OXO-3,5-DIHYDRO-4H-PYRIDAZINO[4,5-b]INDOLE-1-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE SANOFI-SYNTHELABO (FR) 2000-08-03 — — WO disclosed
EP-1000063-A1 4-OXO-3,5-DIHYDRO-4H-PYRIDAZINO 4,5-$i(b)]-INDOLE-1-ACETAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY SANOFI-SYNTHELABO (FR) 2000-05-17 — — EP disclosed
WO-1999006406-A1 4-OXO-3,5-DIHYDRO-4H-PYRIDAZINO[4,5-b]-INDOLE-1-ACETAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY SANOFI-SYNTHELABO (FR) 1999-02-11 — — 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 (6 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-20180280352-A1 OCTAHYDRO-CYCLOBUTA[1,2-c;3,4-c']DIPYRROL-2-YL NPY1R, NPY2R, DECR1 MCL1 339/4885GPR35 1085/4885CCR9 144/4885
US-12065428-B2 Anti-viral compounds EIF2AK2, ZC3HAV1, HAVCR2 MCL1 1723/4885GPR35 4033/4885CCR9 735/4885
US-20230140238-A1 ANTI-VIRAL COMPOUNDS EIF2AK2, ZC3HAV1, HAVCR2 MCL1 1723/4885GPR35 4033/4885CCR9 735/4885
US-20040077646-A1 Indole nitriles TPH1, IDO1, NAT1 MCL1 870/4885GPR35 2087/4885CCR9 2475/4885
US-20040259930-A1 Linear basic compounds having nk-2 antagonist activity and formulations thereof BDKRB2, BDKRB1, TACR2 MCL1 3552/4885GPR35 674/4885CCR9 1460/4885
US-10849881-B2 Octahydro-cyclobuta[1,2-c;3,4-c′]dipyrrol-2-yl NPY1R, NPY2R, DECR1 MCL1 319/4885GPR35 1144/4885CCR9 135/4885

“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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