SCHEMBL5113435

SCHEMBL5113435

O=C(NCc1ccc(F)cc1)c1cc(C2CCCCN2C(=O)Nc2ccccc2)nc(O)c1O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.47
ALDH1A1 P00352 3/20 0.46
NPC1 O15118 2/20 0.44
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
PPARG P37231 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALOX15 P16050 1/20 0.41
POLB P06746 1/20 0.41
MAOB P27338 1/20 0.41
RAB9A P51151 1/20 0.41
NAMPT P43490 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
SCHEMBL5128043 0.84 NPC1 (0.47) TRPV1ALDH1A1NPC1GAAMAPT
SCHEMBL5522421 0.76 FAP (0.43) ALDH1A1NPC1KMT2ARAB9A
SCHEMBL1150262 0.75 KCNH2 (0.51) TRPV1ALDH1A1NPC1GAAMAPT
SCHEMBL31388554 0.73 BTK (0.56)
SCHEMBL5252805 0.72 L3MBTL1 (0.42) ALDH1A1NPC1GAAMAPTMEN1
SCHEMBL5119825 0.72 ALDH1A1 (0.46) ALDH1A1
SCHEMBL6643147 0.72 ALDH1A1 (0.46) TRPV1ALDH1A1NPC1GAAMAPT
SCHEMBL5522498 0.71 ADAM17 (0.43) ALDH1A1
SCHEMBL5113080 0.71 CYP2C9 (0.49) ALDH1A1MEN1KMT2A
SCHEMBL5530855 0.71 KMT2A (0.56) ALDH1A1NPC1MAPTKMT2ARAB9A

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-7459452-B2 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2008-12-02 US disclosed
US-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DI FRANCESCO MARIA E 2007-04-12 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-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DUT, DPYD, TYMP TRPV1 3184/4885ALDH1A1 1116/4885NPC1 3019/4885

“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.