SCHEMBL25411

SCHEMBL25411

Cc1cccc(-n2c(C)nc3cc(C(=O)O)ccc32)c1

nearest known ligand 0.80

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.80
HTT P42858 1/20 0.78
THRB P10828 1/20 0.76
ATM Q13315 1/20 0.68
TP53 P04637 3/20 0.67
SMN1; SMN2 Q16637 1/20 0.64
HPGD P15428 2/20 0.61
ALDH1A1 P00352 1/20 0.61
LMNA P02545 2/20 0.56
MAPT P10636 1/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 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
SCHEMBL120600 0.89 HSD17B10 (1.00) HSD17B10HTTTHRBSMN1; SMN2HPGD
SCHEMBL29784251 0.89 HSD17B10 (1.00) HSD17B10HTTTHRBSMN1; SMN2HPGD
SCHEMBL31451 0.86 ATM (0.67) HSD17B10HTTTHRBATMTP53
SCHEMBL15033453 0.83 ATM (0.58) HSD17B10HTTTHRBATMTP53
SCHEMBL7762886 0.82 HSD17B10 (0.72) HSD17B10HTTTHRBSMN1; SMN2HPGD
SCHEMBL15020819 0.82 HPGD (0.82) HSD17B10ATMTP53SMN1; SMN2HPGD
SCHEMBL121584 0.81 HSD17B10 (0.70) HSD17B10HTTTHRBTP53SMN1; SMN2
SCHEMBL13243754 0.80 HSD17B10 (0.65) HSD17B10HTTTHRBATMTP53
SCHEMBL121580 0.80 HSD17B10 (0.78) HSD17B10HTTTHRBTP53SMN1; SMN2
SCHEMBL3065613 0.80 HSD17B10 (0.82) HSD17B10HTTTHRBATMTP53

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
EP-2610255-B1 1H-Benzo[d]imidazol-5-yl compounds and composition for treating inflammatory diseases NEOPHARM CO LTD (KR) 2016-02-24 EP disclosed
US-8809541-B2 Heterocyclic compound, and composition for treating inflammatory diseases using same NEOPHARM CO., LTD. (KR) 2014-08-19 US disclosed
EP-2610255-A2 NOVEL HETEROCYCLIC COMPOUND, AND COMPOSITION FOR TREATING INFLAMMATORY DISEASES USING SAME Neopharm Co., Ltd. (KR) 2013-07-03 EP 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 HSD17B10 1937/4885HTT 2228/4885THRB 3927/4885

“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.