SCHEMBL5230740

SCHEMBL5230740

O=C(NCc1ccccc1)c1ccc(F)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.72
HDAC2 Q92769 1/20 0.72
HDAC8 Q9BY41 1/20 0.72
RAB9A P51151 4/20 0.71
NPC1 O15118 2/20 0.71
CXCR4 P61073 1/20 0.69
HPGD P15428 1/20 0.68
LMNA P02545 4/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
HDAC1 Q13547 1/20 0.65
KMT2A Q03164 2/20 0.64
CYP1A2 P05177 1/20 0.64
CYP2C19 P33261 1/20 0.64
ALDH1A1 P00352 2/20 0.63
MEN1 O00255 1/20 0.63
ALOX12 P18054 1/20 0.63
RECQL P46063 1/20 0.63
ROCK2 O75116 1/20 0.62
RPS6KA5 O75582 1/20 0.62
MAP4K4 O95819 1/20 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
SCHEMBL1155517 0.93 ALDH1A1 (0.72) HDAC6HDAC2HDAC8RAB9ANPC1
SCHEMBL6077802 0.91 L3MBTL1 (0.77) HDAC6HDAC8CXCR4LMNAL3MBTL1
SCHEMBL11900090 0.91 HDAC6 (0.85) HDAC6HDAC2HDAC8RAB9AHPGD
SCHEMBL10099566 0.88 NR1H4 (0.69) HDAC6CXCR4LMNAL3MBTL1HDAC1
SCHEMBL457082 0.87 HDAC6 (0.79) HDAC6HDAC2HDAC8RAB9AHPGD
SCHEMBL15165753 0.85 PPARG (0.64) HDAC6HDAC2HDAC8CXCR4HPGD
SCHEMBL4747957 0.85 NR1H4 (0.81) HDAC6HDAC2HDAC8RAB9AHPGD
SCHEMBL6843720 0.85 HDAC6 (0.77) HDAC6HDAC2HDAC8RAB9AHPGD
SCHEMBL29184442 0.85 HDAC6 (0.76) HDAC6HDAC2HDAC8RAB9AHPGD
Hydrochloric Acid SCHEMBL3757721 0.85 HDAC6 (0.76) HDAC6HDAC2HDAC8RAB9AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1519932-B1 BISARYLSULFONAMIDE COMPOUNDS AND THEIR USE IN CANCER THERAPY CYCLACEL LTD (GB) 2007-10-03 EP claimed
CN-112661584-B Preparation method of photocatalytic N-alkyl amide compound 大连理工大学 2022-08-05 CN disclosed
CN-112661584-A Preparation method of photocatalytic N-alkyl amide compound 大连理工大学 2021-04-16 CN disclosed
US-9840470-B2 Targeting GLI proteins in human cancer by small molecules THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-12-12 US disclosed
CN-105016938-B Method for preparing N-alkyl amide 南京理工大学 2017-04-19 CN disclosed
CN-105820061-A Method for synthesizing N-alkylamide 南京理工大学 2016-08-03 CN disclosed
US-9370521-B2 Targeting GLI proteins in human cancer by small molecules THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-06-21 US disclosed
US-9334230-B2 Process of forming an amide NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2016-05-10 US disclosed
US-20150361048-A1 Targeting Gli Proteins in Human Cancer by Small Molecules THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2015-12-17 US disclosed
CN-105016938-A Method for preparing N-alkenamides UNIV NANJING SCIENCE & TECH 2015-11-04 CN disclosed
CN-103113176-B Method for synthesizing N-alkenamide UNIV NANJING SCIENCE & TECH 2015-06-17 CN disclosed
US-20140303160-A1 Targeting GLI Proteins in Human Cancer by Small Molecules THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-10-09 US disclosed
CN-103113176-A Method for synthesizing N-alkenamide UNIV NANJING SCIENCE & TECH 2013-05-22 CN 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-20140303160-A1 Targeting GLI Proteins in Human Cancer by Small Molecules GLI2, GLI1, MYC HDAC6 1244/4885HDAC2 2473/4885HDAC8 1569/4885
US-20150361048-A1 Targeting Gli Proteins in Human Cancer by Small Molecules GLI2, GLI1, MYC HDAC6 1244/4885HDAC2 2473/4885HDAC8 1569/4885

“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.