SCHEMBL31525

SCHEMBL31525

Cc1cccc(-c2cnc3cc(C(=O)N4CCCCC4)ccn23)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.77
NPC1 O15118 3/20 0.49
ALDH1A1 P00352 3/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
GLA P06280 1/20 0.49
GABRG2 P18507 2/20 0.47
GABRB3 P28472 2/20 0.47
GABRA3 P34903 2/20 0.47
MKNK1 Q9BUB5 3/20 0.46
MKNK2 Q9HBH9 3/20 0.46
DHODH Q02127 1/20 0.44
GABRA1 P14867 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA2 P47869 1/20 0.43
GRIN2B Q13224 1/20 0.43
ADORA2A P29274 2/20 0.43
FLT3 P36888 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42

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
SCHEMBL23675321 0.87 HPGD (1.00) HPGDNPC1ALDH1A1RAB9A
SCHEMBL15071123 0.85 HPGD (0.56) HPGDNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL15071121 0.83 HPGD (0.54) HPGDNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL23675137 0.80 HPGD (0.64) HPGDNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL31527 0.80 HPGD (0.52) HPGDNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL556989 0.76 FGFR3 (0.71)
SCHEMBL563885 0.74 HPGD (0.58) HPGD
SCHEMBL15071119 0.74 MKNK1 (0.52) HPGDMKNK1MKNK2ADORA2AKMT2A
SCHEMBL10174633 0.74 HPGD (1.00) HPGDNPC1ALDH1A1RAB9AGABRA3
SCHEMBL12969 0.74 HPGD (1.00) HPGDNPC1ALDH1A1RAB9AGABRA3

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.