SCHEMBL22733797

SCHEMBL22733797

O=C(Cc1ccc(C=CC(=O)c2ncc[nH]2)cc1)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.45
MAOA P21397 2/20 0.45
NLRP3 Q96P20 1/20 0.43
RORC P51449 4/20 0.43
FPR2 P25090 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
RET P07949 1/20 0.41
EPHX2 P34913 1/20 0.41
ANO1 Q5XXA6 1/20 0.41
CYP2D6 P10635 1/20 0.40
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40

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
SCHEMBL20754522 1.00 MAOB (0.45) MAOBMAOANLRP3RORCFPR2
SCHEMBL20746277 0.91 HDAC3 (0.44) MAOBMAOANLRP3LMNAMAPT
SCHEMBL20746278 0.91 HDAC3 (0.44) MAOBMAOANLRP3LMNAMAPT
SCHEMBL20746552 0.89 GAA (0.53) MAOBLMNAMAPTKMT2ANPSR1
SCHEMBL20746553 0.89 GAA (0.53) MAOBLMNAMAPTKMT2ANPSR1
SCHEMBL20746341 0.87 SMN1; SMN2 (0.51) NLRP3RORCLMNAMAPTKMT2A
SCHEMBL20746339 0.87 SMN1; SMN2 (0.51) NLRP3RORCLMNAMAPTKMT2A
SCHEMBL20746574 0.87 NPC1 (0.51) LMNAMAPTKMT2ANPSR1CA12
SCHEMBL20746435 0.86 KMT2A (0.51) MAOBMAOALMNAMAPTKMT2A
SCHEMBL20746436 0.86 KMT2A (0.51) MAOBMAOALMNAMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200385374-A1 IMIDAZOLE-BASED ANTICANCER AGENTS AND DERIVATIVES THEREOF, AND METHODS OF MAKING AND USING SAME THE UNIVERSITY OF TOLEDO (US) 2020-12-10 US claimed
US-20200385374-A1 IMIDAZOLE-BASED ANTICANCER AGENTS AND DERIVATIVES THEREOF, AND METHODS OF MAKING AND USING SAME THE UNIVERSITY OF TOLEDO (US) 2020-12-10 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-20200385374-A1 IMIDAZOLE-BASED ANTICANCER AGENTS AND DERIVATIVES THEREOF, AND METHODS OF MAKING AND USING SAME HDAC1, HDAC8, HDAC2 MAOB 2986/4885MAOA 2555/4885NLRP3 4306/4885

“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.