SCHEMBL31487

SCHEMBL31487

Cc1ccc(C)c(-c2c(C)nc3ccc(C(=O)N4CCCCC4)cn23)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 1/20 0.52
PLA2G7 Q13093 1/20 0.46
HPGD P15428 8/20 0.45
TSHR P16473 1/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
LMNA P02545 1/20 0.44
NPC1 O15118 1/20 0.43
MAPK14 Q16539 1/20 0.43
CNR2 P34972 1/20 0.41
POLB P06746 1/20 0.41
ATM Q13315 1/20 0.41
ALDH1A1 P00352 1/20 0.40
GBA1 P04062 1/20 0.40

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
SCHEMBL15071132 0.84 F2RL1 (0.64) F2RL1HPGDTSHRKMT2AMEN1
SCHEMBL31488 0.83 F2RL1 (0.60) F2RL1HPGDTSHRKMT2AMEN1
SCHEMBL31560 0.83 F2RL1 (0.63) F2RL1HPGDKMT2AMEN1NPC1
SCHEMBL15071141 0.81 F2RL1 (0.61) F2RL1HPGDKMT2AMEN1NPC1
SCHEMBL31503 0.80 ADORA2A (0.53) PLA2G7HPGDTSHRKMT2AMEN1
SCHEMBL15071100 0.80 F2RL1 (0.77) F2RL1HPGDTSHRKMT2AMEN1
SCHEMBL15071143 0.78 F2RL1 (0.74) F2RL1HPGDTSHRKMT2AMEN1
SCHEMBL15071127 0.78 F2RL1 (0.62) F2RL1HPGDKMT2ALMNAALDH1A1
SCHEMBL15071138 0.78 F2RL1 (0.62) F2RL1HPGDTSHRNPC1ALDH1A1
SCHEMBL15071130 0.78 F2RL1 (0.62) F2RL1HPGDKMT2AMEN1NPC1

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 1/4885PLA2G7 152/4885HPGD 80/4885

“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.