SCHEMBL10194841

SCHEMBL10194841

Cc1ccc(C(=O)NCc2cccc(F)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.61
LMNA P02545 2/20 0.59
ALDH1A1 P00352 3/20 0.57
POLB P06746 3/20 0.57
TP53 P04637 2/20 0.57
NAMPT P43490 1/20 0.57
TDP1 Q9NUW8 2/20 0.54
MAPT P10636 3/20 0.54
ROCK2 O75116 1/20 0.54
KDM4E B2RXH2 1/20 0.54
HTT P42858 1/20 0.54
MAPK14 Q16539 1/20 0.53
MEN1 O00255 1/20 0.53
RECQL P46063 1/20 0.53
BLM P54132 1/20 0.53
KMT2A Q03164 1/20 0.53
MCL1 Q07820 1/20 0.53

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
SCHEMBL3462286 0.86 HDAC2 (0.60) LMNAALDH1A1POLBTP53NAMPT
SCHEMBL20804355 0.86 HPGD (0.57) MMP13ALDH1A1TP53NAMPTTDP1
SCHEMBL15317664 0.86 NR1H4 (0.71) LMNAALDH1A1MAPTHTTMEN1
SCHEMBL5338226 0.84 HPGD (0.63) MMP13LMNAALDH1A1TP53NAMPT
SCHEMBL254175 0.84 SRC (0.69) MMP13TP53NAMPTMAPTROCK2
SCHEMBL3030331 0.83 HDAC6 (0.63) TP53NAMPTMAPTROCK2
SCHEMBL254400 0.83 ROCK2 (0.62) TP53NAMPTMAPTROCK2
SCHEMBL10448586 0.82 HPGD (0.52) LMNAALDH1A1TP53NAMPTMAPT
SCHEMBL1569176 0.82 L3MBTL1 (0.68) NAMPTROCK2MAPK14
SCHEMBL30462959 0.82 NPC1 (0.61) MMP13ALDH1A1TDP1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2655357-B1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS MERCK SERONO SA (CH) 2016-06-22 EP disclosed
WO-2012084704-A1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS MERCK SERONO S.A. (CH) 2012-06-28 WO disclosed
US-20090029990-A1 Dihydropteridinones in the treatment of respiratory diseases MAIER UDO 2009-01-29 US disclosed
US-20070043055-A1 Dihydropteridinones in the treatment of respiratory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-22 US 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-20070043055-A1 Dihydropteridinones in the treatment of respiratory diseases QDPR, DHPS, NDUFS6 MMP13 3128/4885LMNA 2051/4885ALDH1A1 1078/4885
US-20090029990-A1 Dihydropteridinones in the treatment of respiratory diseases QDPR, DHPS, NDUFS6 MMP13 3128/4885LMNA 2051/4885ALDH1A1 1078/4885

“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.