SCHEMBL18965877

SCHEMBL18965877

CCn1c(NCc2ccc(Oc3ncc(C(F)(F)F)cn3)cc2)nc2ccc(Nc3cc(C(C)(C)C)[nH]n3)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.39
LMNA P02545 2/20 0.39
MCHR1 Q99705 1/20 0.35
THRB P10828 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PIK3C3 Q8NEB9 1/20 0.35
BRAF P15056 3/20 0.35
RAF1 P04049 2/20 0.35
KDR P35968 2/20 0.35
GAA P10253 2/20 0.34
MAPT P10636 2/20 0.34
TRPC5 Q9UL62 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
CYP3A4 P08684 1/20 0.33
P2RX3 P56373 1/20 0.32
NTRK1 P04629 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL17488325 0.91 DHODH (0.42) TP53LMNAMCHR1THRBSMN1; SMN2
SCHEMBL17488046 0.91 LMNA (0.40) TP53LMNATHRBSMN1; SMN2PIK3C3
SCHEMBL17488331 0.89 LMNA (0.39) TP53LMNATHRBSMN1; SMN2PIK3C3
SCHEMBL17488047 0.87 P2RX3 (0.40) TP53LMNAMCHR1THRBSMN1; SMN2
SCHEMBL17488050 0.85 TP53 (0.40) TP53LMNAMCHR1THRBSMN1; SMN2
SCHEMBL17488319 0.84 TP53 (0.39) TP53LMNAMCHR1THRBSMN1; SMN2
SCHEMBL18965888 0.83 P2RX3 (0.39) TP53LMNATHRBSMN1; SMN2PIK3C3
SCHEMBL17488140 0.83 PIK3C3 (0.40) TP53MCHR1SMN1; SMN2PIK3C3BRAF
SCHEMBL17487841 0.83 DHODH (0.43) TP53MCHR1PIK3C3BRAFRAF1
SCHEMBL18965897 0.83 TP53 (0.38) TP53LMNAMCHR1THRBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170166563-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS INSTITUT PASTEUR KOREA (KR) 2017-06-15 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-20170166563-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS ALOX5, ALOX15, ALOX12 TP53 2004/4885LMNA 1905/4885MCHR1 2605/4885

“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.