SCHEMBL2902945

SCHEMBL2902945

CCC(=O)Nc1ccc(C)cc1C

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.79
MEN1 O00255 3/20 0.79
LMNA P02545 1/20 0.77
L3MBTL1 Q9Y468 1/20 0.77
ALDH1A1 P00352 4/20 0.72
SMN1; SMN2 Q16637 3/20 0.72
HTT P42858 1/20 0.72
HDAC3 O15379 1/20 0.64
HDAC4 P56524 1/20 0.64
HDAC1 Q13547 1/20 0.64
HDAC7 Q8WUI4 1/20 0.64
HDAC2 Q92769 1/20 0.64
HDAC10 Q969S8 1/20 0.64
HDAC11 Q96DB2 1/20 0.64
HDAC8 Q9BY41 1/20 0.64
HDAC6 Q9UBN7 1/20 0.64
HDAC9 Q9UKV0 1/20 0.64
HDAC5 Q9UQL6 1/20 0.64
TP53 P04637 4/20 0.62
HPGD P15428 2/20 0.62

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
SCHEMBL9312746 0.89 KMT2A (1.00) KMT2AMEN1LMNAL3MBTL1ALDH1A1
SCHEMBL13437936 0.87 KMT2A (0.82) KMT2AMEN1LMNAL3MBTL1ALDH1A1
SCHEMBL25737020 0.86 MEN1 (0.74) KMT2AMEN1LMNAL3MBTL1ALDH1A1
SCHEMBL13752250 0.85 HDAC3 (0.64) KMT2AMEN1LMNAL3MBTL1ALDH1A1
SCHEMBL4228749 0.84 SMN1; SMN2 (1.00) KMT2AMEN1LMNAL3MBTL1ALDH1A1
SCHEMBL295936 0.84 KMT2A (0.83) KMT2AMEN1LMNAL3MBTL1ALDH1A1
SCHEMBL15966067 0.84 L3MBTL1 (0.56) KMT2AMEN1LMNAL3MBTL1ALDH1A1
SCHEMBL16303386 0.84 KMT2A (0.77) KMT2AMEN1LMNAL3MBTL1ALDH1A1
SCHEMBL6360691 0.84 KMT2A (0.77) KMT2AMEN1LMNAL3MBTL1ALDH1A1
SCHEMBL12956151 0.84 LMNA (0.60) KMT2AMEN1LMNAL3MBTL1ALDH1A1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9169246-B2 Pyrazoloquinolinone derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2015-10-27 US disclosed
EP-2213650-B1 SUBSTITUTED DIPHENYLAMINES AS INHIBITORS OF REVERSE TRANSCRIPTASE, PROCESS OF PREPARING THEM AND USE THEREOF INST PHARM & TOXICOLOGY AMMS (CN) 2015-08-12 EP disclosed
US-20130079337-A1 PYRAZOLOQUINOLINONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2013-03-28 US disclosed
US-8309602-B2 Multi-substituted diarylanilines as non-nucleoside HIV reverse transcriptase inhibitors, and preparation and use thereof INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY (CN) 2012-11-13 US disclosed
US-20100292324-A1 Multi-Substituted Diarylanilines as Non-Nucleoside HIV Reverse Transcriptase Inhibitors, and Preparation and Use Thereof INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA (CN) 2010-11-18 US disclosed
EP-2213650-A1 SUBSTITUTED DIPHENYLAMINES AS INHIBITORS OF REVERSE TRANSCRIPTASE, PROCESS OF PREPARING THEM AND USE THEREOF Institute Of Pharmacology And Toxicology Academy Of Military Medical Sciences P.L.A. China (CN) 2010-08-04 EP disclosed
US-20080207718-A1 Use of Fused Imidazole Derivatives to Mediate Ccr3 Related Conditions BECKWITH ROHAN 2008-08-28 US disclosed
US-20080207718-A1 Use of Fused Imidazole Derivatives to Mediate Ccr3 Related Conditions BECKWITH ROHAN 2008-08-28 US disclosed
WO-2007025751-A1 USE OF FUSED IMIDAZOLE DERIVATIVES TO MEDIATE CCR3 RELATED CONDITIONS NOVARTIS AG (CH) 2007-03-08 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-20100292324-A1 Multi-Substituted Diarylanilines as Non-Nucleoside HIV Reverse Transcriptase Inhibitors, and Preparation and Use Thereof PNP, POLRMT, QTRT1 KMT2A 418/4885MEN1 3688/4885LMNA 1215/4885
US-20130079337-A1 PYRAZOLOQUINOLINONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF CYP11B2, COQ8A, CYP1A2 KMT2A 3452/4885MEN1 1323/4885LMNA 2087/4885
US-20080207718-A1 Use of Fused Imidazole Derivatives to Mediate Ccr3 Related Conditions CCR3, CCR1, CCR4 KMT2A 3492/4885MEN1 3895/4885LMNA 3847/4885

“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.