SCHEMBL31527

SCHEMBL31527

Cc1cccc(-c2cnc3c(C)cc(C(=O)N4CCCCC4)cn23)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.52
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GLA P06280 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
FYN P06241 2/20 0.43
MKNK1 Q9BUB5 3/20 0.43
MKNK2 Q9HBH9 3/20 0.43
GRIN2B Q13224 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
DHODH Q02127 1/20 0.42
KMT2A Q03164 1/20 0.41

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
SCHEMBL15071123 0.84 HPGD (0.56) HPGDNPC1ALDH1A1GLARAB9A
SCHEMBL15071121 0.83 HPGD (0.54) HPGDNPC1ALDH1A1GLARAB9A
SCHEMBL31525 0.80 HPGD (0.77) HPGDNPC1ALDH1A1GLARAB9A
SCHEMBL15071119 0.73 MKNK1 (0.52) HPGDMKNK1MKNK2KMT2A
SCHEMBL15071118 0.72 MKNK1 (0.53) HPGDMKNK1MKNK2
SCHEMBL31560 0.71 F2RL1 (0.63) HPGDNPC1ALDH1A1GLARAB9A
SCHEMBL10174633 0.70 HPGD (1.00) HPGDNPC1ALDH1A1RAB9AKMT2A
SCHEMBL12969 0.70 HPGD (1.00) HPGDNPC1ALDH1A1RAB9AKMT2A
SCHEMBL31554 0.70 MKNK1 (0.63) MKNK1MKNK2
SCHEMBL15071141 0.70 F2RL1 (0.61) HPGDNPC1ALDH1A1GLARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130165652-A1 NOVEL HETEROCYCLIC COMPOUND, AND COMPOSITION FOR TREATING INFLAMMATORY DISEASES USING SAME NEOPHARM CO.,LTD. (KR) 2013-06-27 US disclosed
US-20130165652-A1 NOVEL HETEROCYCLIC COMPOUND, AND COMPOSITION FOR TREATING INFLAMMATORY DISEASES USING SAME NEOPHARM CO.,LTD. (KR) 2013-06-27 US disclosed
WO-2012026765-A2 NOVEL HETEROCYCLIC COMPOUND, AND COMPOSITION FOR TREATING INFLAMMATORY DISEASES USING SAME (주)네오팜 (KR) 2012-03-01 WO 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-20130165652-A1 NOVEL HETEROCYCLIC COMPOUND, AND COMPOSITION FOR TREATING INFLAMMATORY DISEASES USING SAME F2RL1, F2R, FPR2 HPGD 80/4885NPC1 2008/4885ALDH1A1 3710/4885

“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.