SCHEMBL2654569

SCHEMBL2654569

Cc1ccc(C)c(C(C#N)C(=O)C(F)(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.35
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 2/20 0.34
CYP2C9 P11712 2/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
TSHR P16473 2/20 0.32
KEAP1 Q14145 2/20 0.32
GAA P10253 2/20 0.32
TTR P02766 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C8 P10632 1/20 0.31
CHRM1 P11229 1/20 0.31
ADRA1A P35348 1/20 0.31
PPARG P37231 1/20 0.31
HTR2B P41595 1/20 0.31
PPARA Q07869 1/20 0.31
SLCO1B3 Q9NPD5 1/20 0.31
CISD1 Q9NZ45 1/20 0.31

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
SCHEMBL17844019 0.76 SMN1; SMN2 (0.49) LMNAKMT2AALDH1A1MEN1CYP2C9
SCHEMBL17844001 0.75 SMN1; SMN2 (0.40) LMNAKMT2AALDH1A1CYP2C9SMN1; SMN2
SCHEMBL5729690 0.70 MAPT (0.41) LMNAKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL10911738 0.69 NLRP3 (0.38) KMT2AALDH1A1MEN1CYP2C9SMN1; SMN2
SCHEMBL11215228 0.69 KMT2A (0.40) LMNAKMT2AALDH1A1MEN1CYP2C9
SCHEMBL28924301 0.69 ALDH1A1 (0.38) KMT2AALDH1A1MEN1TSHRPDK1
SCHEMBL16397799 0.69 S1PR3 (0.41) KMT2AMEN1PPARGPPARA
SCHEMBL509923 0.68 MEN1 (0.39) LMNAKMT2AALDH1A1MEN1TDP1
SCHEMBL3201307 0.68 KMT2A (0.36) LMNAKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL6097343 0.67 TSHR (0.44) LMNAALDH1A1SMN1; SMN2TDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1807411-A1 CYANOTHIOPHENES, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2007-07-18 EP disclosed
US-20060094764-A1 Cyanothiophenes, their preparation and their use in pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-05-04 US disclosed
WO-2006042850-A1 CYANOTHIOPHENES, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-04-27 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-20060094764-A1 Cyanothiophenes, their preparation and their use in pharmaceutical compositions GLRB, GPR6, GRM3 LMNA 4036/4885KMT2A 4416/4885ALDH1A1 3592/4885

“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.