SCHEMBL13022997

SCHEMBL13022997

C#Cc1cc(C)c(NC(=O)c2cc(N)cc(N)c2)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.38
LCK P06239 3/20 0.38
PKM P14618 1/20 0.38
LMNA P02545 1/20 0.37
MAPT P10636 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
S1PR4 O95977 2/20 0.35
CISD2 Q8N5K1 1/20 0.34
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 1/20 0.33
PTGER4 P35408 1/20 0.33
SNCA P37840 1/20 0.33

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
SCHEMBL13400512 0.88 PKM (0.46) ALDH1A1KDM4ELCKPKMLMNA
SCHEMBL13022964 0.83 KDM4E (0.36) ALDH1A1KDM4EPKMLMNASMN1; SMN2
SCHEMBL13022951 0.80 SNCA (0.45) PKMLMNAMAPTSMN1; SMN2POLB
SCHEMBL13023231 0.78 MAPT (0.52) ALDH1A1KDM4ELMNAMAPTCYP1A2
SCHEMBL13023066 0.76 SNCA (0.45) PKMLMNASMN1; SMN2POLBSNCA
SCHEMBL13022935 0.75 MEN1 (0.51) ALDH1A1KDM4EPKMLMNAMAPT
SCHEMBL11987617 0.75 PTGS1 (0.39) ALDH1A1KDM4ELCKPKMMAPT
SCHEMBL13400491 0.74 MEN1 (0.40) ALDH1A1KDM4EPKMMAPTSMN1; SMN2
SCHEMBL14972603 0.72 PKM (0.56) ALDH1A1KDM4ELCKPKMLMNA
SCHEMBL13023046 0.72 MEN1 (0.51) ALDH1A1KDM4EPKMLMNAMAPT

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
US-20100286353-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF FUJIFILM CORPORATION (JP) 2010-11-11 US disclosed
US-20100286353-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF FUJIFILM CORPORATION (JP) 2010-11-11 US disclosed
EP-2202220-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF Fujifilm Corporation (JP) 2010-06-30 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 (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-20100286353-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF KAT8, HDAC10, SSRP1 ALDH1A1 1480/4885KDM4E 3239/4885LCK 3869/4885

“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.