SCHEMBL3596733

SCHEMBL3596733

Cn1cc(C(=O)CC#N)c2cc(Cl)ccc21

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.48
KMT2A Q03164 4/20 0.46
MAPT P10636 3/20 0.46
LMNA P02545 2/20 0.46
MITF O75030 1/20 0.46
ALDH1A1 P00352 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MEN1 O00255 2/20 0.45
KDM4E B2RXH2 1/20 0.44
RAB9A P51151 1/20 0.42
CACNA1H O95180 1/20 0.40
MAOB P27338 1/20 0.39
CDK2 P24941 1/20 0.39
AGPAT2 O15120 1/20 0.38
NR4A2 P43354 2/20 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
SCHEMBL29426296 0.80 ALDH1A1 (0.66) KMT2AMAPTLMNAMITFALDH1A1
SCHEMBL20838602 0.80 ALDH1A1 (0.66) KMT2AMAPTLMNAMITFALDH1A1
SCHEMBL9572754 0.78 KCNH2 (0.59) KCNH2KMT2AMAPTLMNAMITF
SCHEMBL8355113 0.78 KMT2A (0.63) KCNH2KMT2AALDH1A1MEN1KDM4E
SCHEMBL13114466 0.77 KDM4E (0.64) KCNH2KMT2AMAPTLMNAMITF
SCHEMBL6590142 0.76 MAPT (0.51) KCNH2KMT2AMAPTLMNAMITF
SCHEMBL4419843 0.76 KMT2A (0.50) KCNH2KMT2AMAPTLMNAMITF
SCHEMBL7386302 0.75 OXER1 (0.43) KCNH2KMT2AMAPTLMNAMITF
SCHEMBL8356629 0.74 NR4A2 (0.64) KMT2ALMNAALDH1A1MEN1KDM4E
SCHEMBL13415459 0.74 NR4A2 (0.64) KCNH2KMT2AMAPTKDM4ECACNA1H

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
US-20100063065-A1 THIOPHENE DERIVATIVES AS PPAR AGONISTS I INPHARMATICA LIMITED (GB) 2010-03-11 US disclosed
EP-1937663-A1 THIOPHENE DERIVATIVES AS PPAR AGONISTS I Inpharmatica Limited (GB) 2008-07-02 EP disclosed
WO-2007036730-A9 THIOPHENE DERIVATIVES AS PPAR AGONISTS I INPHARMATICA LTD (GB) 2008-06-19 WO disclosed
WO-2007036730-A1 THIOPHENE DERIVATIVES AS PPAR AGONISTS I INPHARMATICA LIMITED (GB) 2007-04-05 WO 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 (1 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-20100063065-A1 THIOPHENE DERIVATIVES AS PPAR AGONISTS I PPARG, PPARD, PPARA KCNH2 2465/4885KMT2A 3191/4885MAPT 4061/4885

“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.