SCHEMBL4440148

SCHEMBL4440148

COc1cc2c(cc1C(=O)NSc1ccncc1)OCC[C@@H]2N

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 7/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 3/20 0.36
TSHR P16473 2/20 0.36
NPC1 O15118 2/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
KCNMA1 Q12791 1/20 0.34
HPGD P15428 2/20 0.33
ROCK2 O75116 1/20 0.33
ABCB1 P08183 1/20 0.33
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL4452197 1.00 KDM4C (0.37) KDM4CSMN1; SMN2MAPK1ALDH1A1TSHR
SCHEMBL2851860 0.87 KDM4C (0.41) KDM4CTP53MAPT
SCHEMBL4451520 0.87 KDM4C (0.41) KDM4CTP53MAPT
SCHEMBL5131179 0.87 KDM4C (0.41) KDM4CTP53MAPT
SCHEMBL4444534 0.85 KDM4C (0.38) KDM4C
SCHEMBL2855899 0.85 KDM4C (0.38) KDM4C
SCHEMBL5956779 0.82 KDM4D (0.37) KDM4CSMN1; SMN2MAPK1ALDH1A1TSHR
SCHEMBL5956487 0.82 KDM4D (0.37) KDM4CSMN1; SMN2MAPK1ALDH1A1TSHR
SCHEMBL4442650 0.79 MAPT (0.44) KDM4CSMN1; SMN2ALDH1A1NPC1TP53
SCHEMBL2851538 0.79 MAPT (0.44) KDM4CSMN1; SMN2ALDH1A1NPC1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090036465-A1 COMBINATION THERAPY FOR PULMONARY ARTERIAL HYPERTENSION UNITED THERAPEUTICS CORPORATION 2009-02-05 US disclosed
WO-2008049000-A2 COMBINATION THERAPY FOR PULMONARY ARTERIAL HYPERTENSION UNITED THERAPEUTICS CORPORATION (US) 2008-04-24 WO disclosed
EP-1270570-B1 AMIDE COMPOUNDS AND USE THEREOF MITSUBISHI PHARMA CORP (JP) 2006-05-31 EP disclosed
US-6933305-B2 Amide compounds and use thereof MITSUBISHI PHARMA CORPORATION (JP) 2005-08-23 US disclosed
US-20030158413-A1 Amide compounds and use thereof MITSUBISHI PHARMA CORPORATION (JP) 2003-08-21 US disclosed
EP-1270570-A1 AMIDE COMPOUNDS AND USE THEREOF Mitsubishi Pharma Corporation (JP) 2003-01-02 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 (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-20030158413-A1 Amide compounds and use thereof ROCK2, ROCK1, RHOT2 KDM4C 2667/4885SMN1; SMN2 3300/4885MAPK1 128/4885
US-20090036465-A1 COMBINATION THERAPY FOR PULMONARY ARTERIAL HYPERTENSION ROCK1, ROCK2, RHOA KDM4C 4699/4885SMN1; SMN2 4392/4885MAPK1 629/4885

“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.