SCHEMBL8312276

SCHEMBL8312276

Cc1ccc(C(=O)NC2CCCNC(=O)C2)cc1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.62
NPC1 O15118 5/20 0.62
HPGD P15428 2/20 0.62
CYP1A2 P05177 1/20 0.62
CYP2C19 P33261 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
USP2 O75604 1/20 0.47
OPRK1 P41145 2/20 0.45
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45
LMNA P02545 1/20 0.45
ADORA1 P30542 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL14856022 1.00 RAB9A (0.62) RAB9ANPC1HPGDCYP1A2CYP2C19
SCHEMBL8313089 0.87 NPC1 (0.46) RAB9ANPC1HPGDCYP1A2CYP2C19
SCHEMBL14856486 0.86 POLB (0.50) RAB9ANPC1HPGDCYP1A2CYP2C19
SCHEMBL14856186 0.86 POLB (0.50) RAB9ANPC1HPGDCYP1A2CYP2C19
SCHEMBL8313720 0.86 NPC1 (0.52) RAB9ANPC1HPGDSMN1; SMN2ALDH1A1
SCHEMBL9200588 0.86 NPC1 (0.52) RAB9ANPC1HPGDSMN1; SMN2ALDH1A1
SCHEMBL8311826 0.85 NPC1 (0.68) RAB9ANPC1HPGDCYP1A2CYP2C19
SCHEMBL8315644 0.84 HDAC4 (0.47) RAB9ANPC1HPGDCYP1A2CYP2C19
SCHEMBL8313869 0.81 RAB9A (0.42) RAB9ANPC1HPGDCYP1A2CYP2C19
SCHEMBL8311437 0.81 KMT2A (0.52) OPRK1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130172318-A1 ANTI-INFLAMMATORY AGENTS GRAINGER DAVID JOHN (GB) 2013-07-04 US claimed
EP-2580196-A1 ANTI-INFLAMMATORY AGENTS Cambridge Enterprise Ltd. (GB) 2013-04-17 EP claimed
WO-2011154696-A1 ANTI-INFLAMMATORY AGENTS CAMBRIDGE ENTERPRISE LIMITED (GB) 2011-12-15 WO claimed
US-20130172318-A1 ANTI-INFLAMMATORY AGENTS GRAINGER DAVID JOHN (GB) 2013-07-04 US disclosed
EP-2580196-A1 ANTI-INFLAMMATORY AGENTS Cambridge Enterprise Ltd. (GB) 2013-04-17 EP disclosed
WO-2011154696-A1 ANTI-INFLAMMATORY AGENTS CAMBRIDGE ENTERPRISE LIMITED (GB) 2011-12-15 WO disclosed
EP-0351856-B1 Thiazolo[5,4-b]azepine compounds TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-09-15 EP disclosed
US-5300639-A 2-oxo-3-carbonylamino-substituted azepine intermediates; lipoperoxide formation inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-04-05 US disclosed
US-5118806-A Enzyme inhibitor for lipoxygenase; useful for treating cancer, hepatic diseases, inflammation, cerebrovascular diseases TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-06-02 US disclosed
US-4956360-A LIPOPEROXIDE INHIBITORS, ENZYME INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-09-11 US disclosed
EP-0351856-A2 Thiazolo[5,4-b]azepine compounds Takeda Chemical Industries, Ltd. (JP) 1990-01-24 EP 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-20130172318-A1 ANTI-INFLAMMATORY AGENTS IL6, TNF, IL1B RAB9A 3124/4885NPC1 2952/4885HPGD 906/4885

“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.