SCHEMBL3091346

SCHEMBL3091346

COc1ccccc1Cc1cc(Br)ccc1C(N)=O

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.54
ALDH1A1 P00352 3/20 0.54
MEN1 O00255 2/20 0.54
KDM4E B2RXH2 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
PARP10 Q53GL7 3/20 0.51
PARP14 Q460N5 1/20 0.51
PARP15 Q460N3 3/20 0.47
MAPK8 P45983 1/20 0.45
MC4R P32245 1/20 0.44
KCNH2 Q12809 1/20 0.44
TTR P02766 1/20 0.44
LMNA P02545 1/20 0.43
HPGD P15428 2/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL31556092 0.86 ALDH1A1 (0.57) KMT2AALDH1A1MEN1KDM4ESMN1; SMN2
SCHEMBL15540355 0.84 HPGD (0.53) ALDH1A1KDM4ESMN1; SMN2PARP10PARP14
SCHEMBL30015569 0.77 DGAT1 (0.49) KMT2APARP10PARP15HPGD
SCHEMBL24699358 0.77 DGAT1 (0.49) KMT2APARP10PARP15HPGD
SCHEMBL3728595 0.77 GAA (0.53) KMT2AALDH1A1MEN1KDM4ESMN1; SMN2
SCHEMBL3091338 0.77 PARP15 (0.48) KMT2AALDH1A1MEN1KDM4ESMN1; SMN2
SCHEMBL423775 0.76 PARP15 (0.58) ALDH1A1KDM4ESMN1; SMN2PARP10PARP15
SCHEMBL28348830 0.76 HPGD (0.50) KMT2AALDH1A1MEN1KDM4ESMN1; SMN2
SCHEMBL31556089 0.75 ALDH1A1 (0.53) KMT2AALDH1A1MEN1KDM4ESMN1; SMN2
SCHEMBL28706432 0.74 KMT2A (0.47) KMT2AALDH1A1MEN1KDM4ESMN1; SMN2

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
EP-2251333-A1 Biphenyl derivatives as P-38 kinase inhibitors Novartis AG (CH) 2010-11-17 EP disclosed
EP-1990338-B1 Biphenylcyclopropylamides as p-38 Kinase inhibitors NOVARTIS AG (CH) 2010-09-22 EP disclosed
US-20100234404-A1 P-38 Kinase Inhibitors LANG HENGYUAN 2010-09-16 US disclosed
US-7754726-B2 Benzamide derivatives as p-38 kinase inhibitors NOVARTIS AG (CH) 2010-07-13 US disclosed
US-7700622-B2 p-38 kinase inhibitors NOVARTIS AG (CH) 2010-04-20 US disclosed
EP-1990338-A2 Biphenylcyclopropylamides as p-38 Kinase inhibitors Novartis AG (CH) 2008-11-12 EP disclosed
EP-1687284-B1 p-38 KINASE INHIBITORS NOVARTIS AG (CH) 2008-10-29 EP disclosed
US-20070111999-A1 P-38 kinase inhibitors TRIAD THERAPEUTICS, INC (US) 2007-05-17 US disclosed
EP-1687284-A2 p-38 KINASE INHIBITORS Novartis AG (CH) 2006-08-09 EP disclosed
WO-2005012241-A2 p-38 KINASE INHIBITORS NOVARTIS AG (CH) 2005-02-10 WO disclosed
US-20050020590-A1 P-38 kinase inhibitors NOVARTIS AG (CH) 2005-01-27 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 (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-20070111999-A1 P-38 kinase inhibitors MAPK8, MAP3K8, MAPK1 KMT2A 3583/4885ALDH1A1 3548/4885MEN1 4480/4885
US-20050020590-A1 P-38 kinase inhibitors MAPK8, MAP3K8, MAPK1 KMT2A 3537/4885ALDH1A1 3694/4885MEN1 4241/4885
US-20100234404-A1 P-38 Kinase Inhibitors MAPK8, MAP3K8, MAPK1 KMT2A 3583/4885ALDH1A1 3548/4885MEN1 4480/4885

“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.