SCHEMBL180384

SCHEMBL180384

CN(Cc1ccccc1)C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.73
RAB9A P51151 3/20 0.73
CA12 O43570 2/20 0.73
CA9 Q16790 2/20 0.73
HPGD P15428 2/20 0.67
KMT2A Q03164 4/20 0.66
MEN1 O00255 2/20 0.63
RIPK1 Q13546 1/20 0.61
SMN1; SMN2 Q16637 2/20 0.59
MGLL Q99685 1/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
ALDH1A1 P00352 3/20 0.58
TSHR P16473 1/20 0.58
POLB P06746 1/20 0.56

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
Hydrochloric Acid SCHEMBL11786759 0.98 NPC1 (0.70) NPC1RAB9ACA12CA9HPGD
SCHEMBL3095761 0.88 NPC1 (0.70) NPC1RAB9ACA12CA9HPGD
SCHEMBL967363 0.86 NPC1 (0.68) NPC1RAB9ACA12CA9HPGD
SCHEMBL425164 0.86 NPC1 (0.68) NPC1RAB9ACA12CA9HPGD
SCHEMBL967111 0.85 NPC1 (0.66) NPC1RAB9ACA12CA9HPGD
SCHEMBL425163 0.85 NPC1 (0.66) NPC1RAB9ACA12CA9HPGD
SCHEMBL9547511 0.85 NPC1 (0.66) NPC1RAB9ACA12CA9HPGD
SCHEMBL11421388 0.85 NPC1 (0.66) NPC1RAB9ACA12CA9HPGD
SCHEMBL967112 0.85 NPC1 (0.66) NPC1RAB9ACA12CA9HPGD
SCHEMBL3369887 0.85 NPC1 (0.66) NPC1RAB9ACA12CA9HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4240484-A1 PYRIDAZINONE DERIVATIVES AS THYROID RECEPTOR AGONISTS AND USES THEREOF Aligos Therapeutics, Inc. (US) 2023-09-13 EP claimed
WO-2022099049-A1 PYRIDAZINONE DERIVATIVES AS THYROID RECEPTOR AGONISTS AND USES THEREOF ALIGOS THERAPEUTICS, INC. (US) 2022-05-12 WO claimed
EP-3301749-B1 METHOD FOR PRODUCING SECONDARY BATTERY LG CHEMICAL LTD (KR) 2019-07-03 EP claimed
EP-2629889-B1 RUTHENIUM COMPLEXES AND THEIR USES IN PROCESSES FOR FORMATION AND/OR HYDROGENATION OF ESTERS, AMIDES AND DERIVATIVES THEREOF YEDA RES & DEV (IL) 2019-04-03 EP claimed
EP-3364940-A1 METHOD OF CHROMATOGRAPHIC SEPARATION The Procter and Gamble Company (US) 2018-08-29 EP claimed
WO-2017070414-A1 METHOD OF CHROMATOGRAPHIC SEPARATION THE PROCTER & GAMBLE COMPANY (US) 2017-04-27 WO claimed
EP-2562171-B1 GERMINATION-STIMULANT CARBAMATE DERIVATIVES AND PROCESS FOR PREPARATION THEREOF NAT UNIV CORP UNIV KOBE (JP) 2015-01-21 EP claimed
CN-101146530-B 3, 4-substituted pyrrolidine derivatives for the treatment of hypertension NOVARTIS AG 2011-05-18 CN claimed
EP-1863477-B1 3,4-SUBSTITUTED PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF HYPERTENSION NOVARTIS AG (CH) 2010-11-03 EP claimed
US-7807709-B2 Organic compounds NOVARTIS AG (CH) 2010-10-05 US claimed
US-20050075327-A1 Carbamic acid alkyl ester derivatives HOFFMAN-LA ROCHE INC. 2005-04-07 US claimed
US-20040044205-A1 Process for the enantiomeric enrichment of cis-8-benzyl-7,9-dioxo-2,8-diazabicyclo[4.3.0]nonane LANXESS DEUTSCHLAND GMBH (DE) 2004-03-04 US claimed
EP-0874809-B1 CARBAMOYLOXY DERIVATIVES OF MUTILINE AND THEIR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2003-08-27 EP claimed
EP-0950056-B1 N-(PYRIDINYLAMINO)ISOINDOLINES AND RELATED COMPOUNDS AVENTIS PHARMA INC (US) 2002-09-18 EP claimed
EP-0644189-B1 Resolution of stereoisomers of aliphatic epoxides DAICEL CHEM (JP) 2002-01-16 EP claimed
EP-0842142-B1 PROCESS FOR PRODUCING ALPHA-(N,N DIALKYL)-AMINO CARBOXYLIC ACID AMIDES BASF AG (DE) 2001-09-26 EP claimed
US-6239175-B1 Carbamoyloxy derivatives of mutiline and their use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2001-05-29 US claimed
US-5945543-A REACTING CORRESPONDING FREE ACIDS WITH PRIMARY OR SECONDARY AMINES IN THE PRESENCE OF ANHYDRIDES OF AN ALKANEPHOSPHONIC ACID BASF AKTIENGESELLSCHAFT (DE) 1999-08-31 US claimed
US-5514818-A POLYSACCHARIDE DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1996-05-07 US claimed
EP-0411583-B1 AUTOGENOUSLY AIR-SETTING MORTAR SYREMONT S.p.A. (IT) 1993-06-16 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20050075327-A1 Carbamic acid alkyl ester derivatives BCHE, CHRM1, ADCY7 NPC1 370/4885RAB9A 83/4885CA12 956/4885
US-20040044205-A1 Process for the enantiomeric enrichment of cis-8-benzyl-7,9-dioxo-2,8-diazabicyclo[4.3.0]nonane CYP1B1, DECR1, SPIN2B NPC1 2932/4885RAB9A 818/4885CA12 3143/4885

“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.