SCHEMBL25391

SCHEMBL25391

Cc1nc2ccc(C(=O)O)cn2c1-c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 1/20 0.58
AKT1 P31749 10/20 0.53
AKT2 P31751 10/20 0.53
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ALPG P10696 1/20 0.42
AKR1B1 P15121 1/20 0.42
EPHB3 P54753 1/20 0.42
BRD4 O60885 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41

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
SCHEMBL21500652 0.89 F2RL1 (0.56) F2RL1AKT1AKT2NPC1RAB9A
SCHEMBL15050025 0.86 AKT1 (0.58) F2RL1AKT1AKT2NPC1RAB9A
SCHEMBL15071104 0.83 HPGD (0.52) F2RL1AKT1AKT2NPC1RAB9A
SCHEMBL15071152 0.83 F2RL1 (0.75) F2RL1
SCHEMBL7467961 0.82 AKT1 (0.56) F2RL1AKT1AKT2AKR1B1
SCHEMBL15071100 0.82 F2RL1 (0.77) F2RL1AKT1AKT2NPC1RAB9A
SCHEMBL31518 0.81 F2RL1 (0.72) F2RL1AKT1AKT2
SCHEMBL15071143 0.80 F2RL1 (0.74) F2RL1AKT1AKT2NPC1RAB9A
SCHEMBL15050009 0.80 F2RL1 (0.68) F2RL1AKT1AKT2
SCHEMBL12920734 0.80 COMT (0.55) F2RL1AKT1AKT2NPC1RAB9A

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
EP-2617721-A2 NOVEL HETEROCYCLIC COMPOUND, AND COMPOSITION FOR TREATING INFLAMMATORY DISEASES USING SAME Neopharm Co., Ltd. (KR) 2013-07-24 EP 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 1/4885AKT1 669/4885AKT2 475/4885

“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.