SCHEMBL571141

SCHEMBL571141

O=C(N1CCC(c2ccccc2)CC1)C(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.60
RIPK1 Q13546 1/20 0.55
RBP4 P02753 2/20 0.52
KCNH2 Q12809 1/20 0.52
HRH3 Q9Y5N1 1/20 0.52
NPC1 O15118 4/20 0.51
RAB9A P51151 3/20 0.51
ATM Q13315 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
BACE1 P56817 1/20 0.50
TP53 P04637 1/20 0.50
ALDH1A1 P00352 1/20 0.50
POLB P06746 1/20 0.50
HSD11B1 P28845 2/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49

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
SCHEMBL15254117 0.86 P2RY14 (0.56) KDM1ARIPK1RBP4KCNH2NPC1
SCHEMBL2452371 0.84 KDM1A (0.48) KDM1ARIPK1RBP4KCNH2P2RY14
SCHEMBL5694984 0.84 KDM1A (0.45) KDM1ARIPK1RBP4KCNH2HRH3
SCHEMBL20705482 0.84 RAB9A (0.50) KDM1ANPC1RAB9ASMN1; SMN2TP53
SCHEMBL8414100 0.84 P2RY14 (0.47) KDM1ARIPK1RBP4KCNH2HRH3
SCHEMBL13328860 0.83 RIPK1 (0.58) RIPK1KCNH2HRH3NPC1RAB9A
SCHEMBL571076 0.81 P2RY14 (0.45) KDM1ARIPK1RBP4NPC1RAB9A
SCHEMBL571736 0.81 P2RY14 (0.47) KDM1ARIPK1RBP4KCNH2NPC1
SCHEMBL20124850 0.81 P2RY14 (0.45) KDM1ARIPK1RBP4KCNH2HSD11B1
SCHEMBL6126281 0.81 P2RY14 (0.45) KDM1ARIPK1RBP4P2RY14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10196373-B2 Substituted 2-hydroxy-4-(2-(phenylsulfonamido)acetamido)benzoic acid analogs as inhibitors of STAT protein THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2019-02-05 US disclosed
EP-3008045-B1 ANTIBACTERIAL THIAZOLECARBOXYLIC ACIDS ANTABIO SAS (FR) 2018-05-09 EP disclosed
US-9914712-B2 Antibacterial thiazolecarboxylic acids ANTABIO SAS (FR) 2018-03-13 US disclosed
US-9914712-B2 Antibacterial thiazolecarboxylic acids ANTABIO SAS (FR) 2018-03-13 US disclosed
US-20160272601-A1 Antibacterial Thiazolecarboxylic Acids ANTABIO SAS (FR) 2016-09-22 US disclosed
US-20160272601-A1 Antibacterial Thiazolecarboxylic Acids ANTABIO SAS (FR) 2016-09-22 US disclosed
EP-2831077-B1 BICYCLIC PYRAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2016-04-27 EP disclosed
EP-2831077-B1 BICYCLIC PYRAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2016-04-27 EP disclosed
US-9120805-B2 Substituted pyrrolo[1,2-A]pyrazin-1-ones and pyrazolo[1,5-A]pyrazin-4-ones as inhibitors of tankyrase and poly(ADP-ribose)polymerase activity MERCK PATENT GMBH (DE) 2015-09-01 US disclosed
US-9120805-B2 Substituted pyrrolo[1,2-A]pyrazin-1-ones and pyrazolo[1,5-A]pyrazin-4-ones as inhibitors of tankyrase and poly(ADP-ribose)polymerase activity MERCK PATENT GMBH (DE) 2015-09-01 US disclosed
US-5681841-A PREVENTION CELL AGGREGATION KARL THOMAE GMBH (DE) 1997-10-28 US disclosed
WO-1996002514-A1 UREA AND CARBAMIC ACID DERIVATIVES, DRUGS CONTAINING THESE COMPOUNDS, AND PROCESS FOR THEIR PREPARATION DR. KARL THOMAE GMBH (DE) 1996-02-01 WO disclosed
WO-1995024405-A1 IMIDAZOLIDIN-2-ONES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND METHOD OF PREPARING THEM DR. KARL THOMAE GMBH (DE) 1995-09-14 WO disclosed
EP-0648130-A1 RADIOIODINATED BENZOVESAMICOL ANALOGS FOR CHOLINERGIC NERVE MAPPING THE UNIVERSITY OF MICHIGAN (US) 1995-04-19 EP disclosed
CN-1094035-A Carboxylic acid derivative contains pharmaceutical composition of these compounds and preparation method thereof THOMAE GMBH DR K (DE) 1994-10-26 CN disclosed
EP-0604800-A1 4- 4- 4-(carboxyalkyl)-phenyl amino carbonyl -phenyl -piperedines as aggregation inhibitors Dr. Karl Thomae GmbH (DE) 1994-07-06 EP disclosed
EP-0587134-A2 Cyclic urea derivatives, medicaments containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1994-03-16 EP disclosed
EP-0648130-A4 RADIOIODINATED BENZOVESAMICOL ANALOGS FOR CHOLINERGIC NERVE MAPPING. UNIV MICHIGAN (US) 1994-01-26 EP disclosed
US-5077035-A Scintigraphic imaging of brain; Alzheimer*s diagnosis THE UNIVERSITY OF MICHIGAN (US) 1991-12-31 US disclosed
WO-1991017776-A1 RADIOIODINATED BENZOVESAMICOL ANALOGS FOR CHOLINERGIC NERVE MAPPING THE UNIVERSITY OF MICHIGAN (US) 1991-11-28 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 (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-20160272601-A1 Antibacterial Thiazolecarboxylic Acids ME1, TALDO1, COASY KDM1A 1249/4885RIPK1 3734/4885RBP4 2964/4885
US-10196373-B2 Substituted 2-hydroxy-4-(2-(phenylsulfonamido)acetamido)benzoic acid analogs as inhibitors of STAT protein STAT3, STAT1, STAT4 KDM1A 2433/4885RIPK1 1300/4885RBP4 3135/4885

“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.