SCHEMBL31372

SCHEMBL31372

Cc1nc2cc(C(=O)N3CCCCC3)ccc2n1-c1ccccc1

nearest known ligand 0.80

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 15/20 0.80
MGLL Q99685 2/20 0.70
HSD17B10 Q99714 1/20 0.69
ALDH1A1 P00352 6/20 0.61
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
TSHR P16473 1/20 0.57
NPC1 O15118 1/20 0.55
GLA P06280 1/20 0.55
RAB9A P51151 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55

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
SCHEMBL15020819 0.90 HPGD (0.82) HPGDMGLLHSD17B10ALDH1A1TSHR
SCHEMBL23680788 0.89 HPGD (1.00) HPGDMGLLALDH1A1MEN1KMT2A
SCHEMBL24463687 0.86 HPGD (0.81) HPGDMGLLHSD17B10ALDH1A1MEN1
SCHEMBL698814 0.83 MGLL (0.64) HPGDMGLLHSD17B10ALDH1A1MEN1
SCHEMBL4343393 0.83 HPGD (0.58) HPGDMGLLALDH1A1NPC1GLA
SCHEMBL120600 0.82 HSD17B10 (1.00) HPGDMGLLHSD17B10ALDH1A1MEN1
SCHEMBL29784251 0.82 HSD17B10 (1.00) HPGDMGLLHSD17B10ALDH1A1MEN1
SCHEMBL3065613 0.81 HSD17B10 (0.82) HPGDMGLLHSD17B10ALDH1A1MEN1
SCHEMBL2285726 0.79 MGLL (0.61) HPGDMGLLHSD17B10ALDH1A1MEN1
SCHEMBL20897871 0.79 MGLL (1.00) MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809541-B2 Heterocyclic compound, and composition for treating inflammatory diseases using same NEOPHARM CO., LTD. (KR) 2014-08-19 US disclosed
US-8809541-B2 Heterocyclic compound, and composition for treating inflammatory diseases using same NEOPHARM CO., LTD. (KR) 2014-08-19 US disclosed
US-20130158047-A1 NOVEL HETEROCYCLIC COMPOUND, AND COMPOSITION FOR TREATING INFLAMMATORY DISEASES USING SAME NEOPHARM CO., LTD. (KR) 2013-06-20 US disclosed
US-20130158047-A1 NOVEL HETEROCYCLIC COMPOUND, AND COMPOSITION FOR TREATING INFLAMMATORY DISEASES USING SAME NEOPHARM CO., LTD. (KR) 2013-06-20 US disclosed
WO-2012026766-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-20130158047-A1 NOVEL HETEROCYCLIC COMPOUND, AND COMPOSITION FOR TREATING INFLAMMATORY DISEASES USING SAME F2RL1, F2R, F2RL3 HPGD 399/4885MGLL 1982/4885HSD17B10 1937/4885

“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.