SCHEMBL13388043

SCHEMBL13388043

Cc1cn2c(C=CC(=O)c3ccc[nH]3)c(C(F)(F)F)nc2s1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.46
MAOA P21397 1/20 0.46
CYP2D6 P10635 16/20 0.44
CYP1A2 P05177 13/20 0.41
CYP1A1 P04798 6/20 0.41
CYP1B1 Q16678 5/20 0.40
LMNA P02545 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
AHR P35869 2/20 0.38
MAPT P10636 1/20 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
SCHEMBL12709735 1.00 MAOB (0.46) MAOBMAOACYP2D6CYP1A2CYP1A1
SCHEMBL13551652 0.86 CYP2D6 (0.45) CYP2D6CYP1A2CYP1A1CYP1B1LMNA
SCHEMBL12709734 0.81 MAOB (0.48) MAOBMAOACYP2D6CYP1A2CYP1A1
SCHEMBL13388482 0.81 MAOB (0.48) MAOBMAOACYP2D6CYP1A2CYP1A1
SCHEMBL13388494 0.81 TUBB4A (0.42) MAOBMAOACYP2D6CYP1A2CYP1A1
SCHEMBL13388496 0.81 TUBB4A (0.42) MAOBMAOACYP2D6CYP1A2CYP1A1
SCHEMBL13387797 0.80 MAPT (0.47) MAOBMAOANPC1RAB9ASMN1; SMN2
SCHEMBL12710006 0.80 MAPT (0.47) MAOBMAOANPC1RAB9ASMN1; SMN2
SCHEMBL13388440 0.80 PFKFB3 (0.42) MAOBCYP2D6CYP1A2CYP1A1CYP1B1
SCHEMBL12709763 0.80 PFKFB3 (0.42) MAOBCYP2D6CYP1A2CYP1A1CYP1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8916711-B2 Imidazothiazole-chalcone derivatives as potential anticancer agents and process for the preparation thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2014-12-23 US claimed
US-20120271054-A1 IMIDAZOTHIAZOLE-CHALCONE DERIVATIVES AS POTENTIAL ANTICANCER AGENTS AND PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2012-10-25 US claimed
US-8916711-B2 Imidazothiazole-chalcone derivatives as potential anticancer agents and process for the preparation thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2014-12-23 US disclosed
EP-2488533-B1 IMIDAZOTHIAZOLE-CHALCONE DERIVATIVES AS POTENTIAL ANTICANCER AGENTS AND PROCESS FOR THE PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2014-07-23 EP disclosed
US-20120271054-A1 IMIDAZOTHIAZOLE-CHALCONE DERIVATIVES AS POTENTIAL ANTICANCER AGENTS AND PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2012-10-25 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 (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-20120271054-A1 IMIDAZOTHIAZOLE-CHALCONE DERIVATIVES AS POTENTIAL ANTICANCER AGENTS AND PROCESS FOR THE PREPARATION THEREOF EIF4A1, CYP2C18, UGT2B17 MAOB 3130/4885MAOA 2044/4885CYP2D6 288/4885

“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.