SCHEMBL13287397

SCHEMBL13287397

C=C(C)Oc1c(/C=C/c2nc3ccccn3c2C(=O)O)cccc1OC(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.36
RAB9A P51151 6/20 0.36
MAPK1 P28482 4/20 0.36
KMT2A Q03164 3/20 0.36
MAPT P10636 3/20 0.36
ALDH1A1 P00352 3/20 0.36
POLB P06746 2/20 0.36
MEN1 O00255 2/20 0.36
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.35
LMNA P02545 3/20 0.35
HTT P42858 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
DAPK3 O43293 1/20 0.33
JAK2 O60674 1/20 0.33
PRKD3 O94806 1/20 0.33
MAP4K4 O95819 1/20 0.33
ABL1 P00519 1/20 0.33
CSF1R P07333 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
SCHEMBL13287324 0.89 NPC1 (0.46) NPC1RAB9AMAPK1KMT2AMAPT
SCHEMBL13287317 0.85 POLB (0.34) NPC1RAB9AMAPK1KMT2AMAPT
SCHEMBL2823725 0.84 PIM1 (0.40) NPC1RAB9AMAPK1KMT2AALDH1A1
SCHEMBL2823729 0.84 PIM1 (0.40) NPC1RAB9AMAPK1KMT2AALDH1A1
SCHEMBL13287423 0.83 ALDH1A1 (0.35) NPC1RAB9AMAPK1MAPTALDH1A1
SCHEMBL13935094 0.82 PIM2 (0.37) MAPK1MAPTALDH1A1POLBKDM4E
SCHEMBL13935092 0.82 PIM2 (0.37) MAPK1MAPTALDH1A1POLBKDM4E
SCHEMBL13287465 0.82 RAB9A (0.33) NPC1RAB9AALDH1A1SMN1; SMN2LMNA
SCHEMBL13287389 0.81 ADORA1 (0.36) NPC1RAB9AMAPK1ALDH1A1KDM4E
SCHEMBL13287390 0.80 ADORA1 (0.34) NPC1RAB9AKMT2AMAPTALDH1A1

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-8318928-B2 Fused imidazole carboxamides as TRPV3 modulators GLENMARK PHARMACEUTICALS, S.A. (CH) 2012-11-27 US disclosed
US-20100152192-A1 FUSED IMIDAZOLE CARBOXAMIDES AS TRPV3 MODULATORS GLENMARK PHARMACEUTICALS S.A (CH) 2010-06-17 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-20100152192-A1 FUSED IMIDAZOLE CARBOXAMIDES AS TRPV3 MODULATORS TRPV3, TRPV1, TRPV2 NPC1 744/4885RAB9A 2769/4885MAPK1 2141/4885

“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.