SCHEMBL3933739

SCHEMBL3933739

COC(=O)c1cc(CC#N)ccc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.49
ALDH1A1 P00352 4/20 0.49
HSD17B10 Q99714 4/20 0.49
KDM4E B2RXH2 4/20 0.49
MAPT P10636 4/20 0.49
TSHR P16473 2/20 0.49
GAA P10253 1/20 0.49
ALOX15 P16050 1/20 0.49
PARP1 P09874 1/20 0.42
ROCK2 O75116 2/20 0.40
ROCK1 Q13464 1/20 0.40
KMT2A Q03164 4/20 0.40
FFAR4 Q5NUL3 1/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 2/20 0.39
THRB P10828 1/20 0.39
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38

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
SCHEMBL7563166 0.86 KDM4E (0.53) HPGDALDH1A1HSD17B10KDM4EMAPT
SCHEMBL17478642 0.85 CYP4F2 (0.46) HPGDALDH1A1HSD17B10KDM4EMAPT
SCHEMBL11446718 0.83 ALDH1A1 (0.50) HPGDALDH1A1HSD17B10KDM4EMAPT
SCHEMBL13163936 0.83 ALDH1A1 (0.71) HPGDALDH1A1HSD17B10KDM4EMAPT
SCHEMBL10202756 0.82 ALDH1A1 (0.51) HPGDALDH1A1HSD17B10KDM4EMAPT
SCHEMBL12483495 0.82 ALDH1A1 (0.49) HPGDALDH1A1HSD17B10KDM4EMAPT
SCHEMBL9786033 0.82 HPGD (0.51) HPGDALDH1A1HSD17B10KDM4EMAPT
SCHEMBL2549128 0.82 ALDH1A1 (0.49) HPGDALDH1A1HSD17B10KDM4EMAPT
SCHEMBL17790264 0.81 HPGD (0.51) HPGDALDH1A1HSD17B10KDM4EMAPT
SCHEMBL14426335 0.81 CYP4F2 (0.53) HPGDALDH1A1HSD17B10KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106573915-B Compounds active against bromodomains 纽韦卢森公司 2020-12-25 CN disclosed
US-10752640-B2 Compounds active towards bromodomains NUEVOLUTION A/S (DK) 2020-08-25 US disclosed
US-10752640-B2 Compounds active towards bromodomains NUEVOLUTION A/S (DK) 2020-08-25 US disclosed
US-20170349607-A1 COMPOUNDS ACTIVE TOWARDS BROMODOMAINS NUEVOLUTION A/S (DK) 2017-12-07 US disclosed
US-20170349607-A1 COMPOUNDS ACTIVE TOWARDS BROMODOMAINS NUEVOLUTION A/S (DK) 2017-12-07 US disclosed
US-20170349607-A1 COMPOUNDS ACTIVE TOWARDS BROMODOMAINS NUEVOLUTION A/S (DK) 2017-12-07 US disclosed
EP-3174868-A1 COMPOUNDS ACTIVE TOWARDS BROMODOMAINS Nuevolution A/S (DK) 2017-06-07 EP disclosed
CN-106573915-A Compounds active against bromodomains 纽韦卢森公司 2017-04-19 CN disclosed
WO-2016016316-A1 COMPOUNDS ACTIVE TOWARDS BROMODOMAINS NUEVOLUTION A/S (DK) 2016-02-04 WO disclosed
US-20090118261-A1 QUINAZOLINONE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS ASTRAZENECA AB (SE) 2009-05-07 US disclosed
EP-1831198-B1 PYRIDINE CARBOXAMIDE DERIVATIVES FOR USE AS ANTICANCER AGENTS ASTRAZENECA AB (SE) 2009-04-08 EP 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-20090118261-A1 QUINAZOLINONE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS BRAF, RAF1, ARAF HPGD 1530/4885ALDH1A1 629/4885HSD17B10 3797/4885
US-20170349607-A1 COMPOUNDS ACTIVE TOWARDS BROMODOMAINS BRD4, BRD3, BRDT HPGD 2141/4885ALDH1A1 3848/4885HSD17B10 1771/4885
US-10752640-B2 Compounds active towards bromodomains BRD4, BRD3, BRDT HPGD 2141/4885ALDH1A1 3848/4885HSD17B10 1771/4885

“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.