SCHEMBL31522

SCHEMBL31522

Cc1cccc(C(OCC2CCCCC2)c2c(C)nc3ccc(C(=O)N4CCCCC4)cn23)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2RL1 P55085 1/20 0.44
▸ HPGD P15428 4/20 0.41
▸ ALDH1A1 P00352 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ GLA P06280 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ EPHX2 P34913 1/20 0.35
▸ REN P00797 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ GUCY1B2 O75343 1/20 0.35
▸ GUCY1A2 P33402 1/20 0.35
▸ GUCY1A1 Q02108 1/20 0.35
▸ GUCY1B1 Q02153 1/20 0.35
▸ GBA1 P04062 1/20 0.35
▸ CASP1 P29466 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ LMNA P02545 1/20 0.34

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
SCHEMBL15074830 0.89 HPGD (0.44) F2RL1HPGDALDH1A1SMN1; SMN2NPC1
SCHEMBL15071148 0.81 HPGD (0.49) F2RL1HPGDALDH1A1SMN1; SMN2NPC1
SCHEMBL15071150 0.81 HPGD (0.49) F2RL1HPGDALDH1A1SMN1; SMN2NPC1
SCHEMBL15071147 0.74 F2RL1 (0.59) F2RL1NPC1RAB9AKMT2AMEN1
SCHEMBL31560 0.72 F2RL1 (0.63) F2RL1HPGDALDH1A1SMN1; SMN2NPC1
SCHEMBL15071129 0.71 HPGD (0.50) F2RL1HPGDALDH1A1SMN1; SMN2NPC1
SCHEMBL15071149 0.71 HPGD (0.58) F2RL1HPGDALDH1A1SMN1; SMN2NPC1
SCHEMBL15071141 0.71 F2RL1 (0.61) F2RL1HPGDALDH1A1SMN1; SMN2NPC1
SCHEMBL15071137 0.69 F2RL1 (0.59) F2RL1HPGDALDH1A1SMN1; SMN2NPC1
SCHEMBL31533 0.68 F2RL1 (0.82) F2RL1KMT2A

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 F2RL1 1/4885HPGD 80/4885ALDH1A1 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.

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