SCHEMBL2823729

SCHEMBL2823729

CC(C)(C)COc1c(C=Cc2nc3ccccn3c2C(=O)O)cccc1OC(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 8/20 0.40
PIM2 Q9P1W9 8/20 0.40
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAPK1 P28482 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
GPR139 Q6DWJ6 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 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
SCHEMBL2823725 1.00 PIM1 (0.40) PIM1PIM2SMN1; SMN2NPC1RAB9A
SCHEMBL2830605 0.90 MAPK1 (0.46) PIM1PIM2SMN1; SMN2NPC1RAB9A
SCHEMBL2830607 0.90 MAPK1 (0.46) PIM1PIM2SMN1; SMN2NPC1RAB9A
SCHEMBL2828199 0.89 PIM1 (0.40) PIM1PIM2SMN1; SMN2NPC1RAB9A
SCHEMBL2828198 0.89 PIM1 (0.40) PIM1PIM2SMN1; SMN2NPC1RAB9A
SCHEMBL13287423 0.87 ALDH1A1 (0.35) PIM1PIM2SMN1; SMN2NPC1RAB9A
SCHEMBL2829845 0.85 HTT (0.34) PIM1PIM2SMN1; SMN2NPC1RAB9A
SCHEMBL2829848 0.85 HTT (0.34) PIM1PIM2SMN1; SMN2NPC1RAB9A
SCHEMBL13287397 0.84 NPC1 (0.36) SMN1; SMN2NPC1RAB9AKMT2ALMNA
SCHEMBL13935135 0.81 ADORA1 (0.36) PIM1PIM2SMN1; SMN2NPC1RAB9A

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 PIM1 3427/4885PIM2 2576/4885SMN1; SMN2 3907/4885

“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.