SCHEMBL436148

SCHEMBL436148

Cc1cc(-c2ccc([N+](=O)[O-])cc2)on1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.55
RAB9A P51151 1/20 0.55
NOD1 Q9Y239 1/20 0.55
CXCR1 P25024 1/20 0.52
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
CSF1R P07333 1/20 0.50
MAPT P10636 6/20 0.49
TP53 P04637 4/20 0.49
CYP1A2 P05177 1/20 0.48
CYP19A1 P11511 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
PDE4B Q07343 1/20 0.46
PDE4D Q08499 1/20 0.46
ACHE P22303 1/20 0.46
HSD17B10 Q99714 1/20 0.46
APP P05067 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
SCHEMBL1646765 0.80 CXCR1 (0.49) RAB9ACXCR1KMT2AMEN1MAPT
SCHEMBL1178035 0.78 ALDH1A1 (0.64) RAB9ACXCR1KMT2AMEN1MAPT
SCHEMBL28689579 0.76 NPC1 (0.67) RAB9ACXCR1KMT2AMEN1MAPT
SCHEMBL17084384 0.76 NPC1 (0.67) RAB9ACXCR1KMT2AMEN1MAPT
SCHEMBL25339145 0.75 CXCR1 (0.48) TNFRAB9ANOD1CXCR1KMT2A
SCHEMBL17084386 0.75 CXCR1 (0.70) RAB9ACXCR1KMT2AMEN1MAPT
SCHEMBL960700 0.75 HTT (0.50) KMT2AMEN1CSF1RMAPT
Ammonia Solution, Strong SCHEMBL28862474 0.74 NPC1 (0.58) RAB9AKMT2AMEN1CSF1RMAPT
SCHEMBL24307626 0.74 NPC1 (0.58) RAB9AKMT2AMEN1CSF1RMAPT
SCHEMBL12004352 0.74 CXCR1 (0.53) RAB9ACXCR1KMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110483430-B Preparation method of isoxazole derivative 上海应用技术大学 2023-02-10 CN disclosed
EP-2595952-B1 AGONISTS OF GPR40 CONNEXIOS LIFE SCIENCES PVT LTD (IN) 2020-11-18 EP disclosed
US-9278915-B2 Agonists of GPR40 CONNEXIOS LIFE SCIENCES PVT LTD (IN) 2016-03-08 US disclosed
US-9278915-B2 Agonists of GPR40 CONNEXIOS LIFE SCIENCES PVT LTD (IN) 2016-03-08 US disclosed
US-9278915-B2 Agonists of GPR40 CONNEXIOS LIFE SCIENCES PVT LTD (IN) 2016-03-08 US disclosed
CN-103228622-B The agonist of GPR40 CONNEXIOS LIFE SCIENCES Pvt.,Ltd. (IN) 2016-01-20 CN disclosed
US-20130237571-A1 AGONISTS OF GPR40 Conexios Life Sciences PVT. LTD. (IN) 2013-09-12 US disclosed
US-20130237571-A1 AGONISTS OF GPR40 Conexios Life Sciences PVT. LTD. (IN) 2013-09-12 US disclosed
US-20130237571-A1 AGONISTS OF GPR40 Conexios Life Sciences PVT. LTD. (IN) 2013-09-12 US disclosed
CN-103228622-A Agonists of gpr40 CONNEXIOS LIFE SCIENCES PVT LTD 2013-07-31 CN disclosed
EP-2595952-A1 AGONISTS OF GPR40 Connexios Life Sciences Pvt. Ltd. (IN) 2013-05-29 EP disclosed
WO-2012011125-A1 AGONISTS OF GPR40 CONNEXIOS LIFE SCIENCES PVT. LTD. (IN) 2012-01-26 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-20130237571-A1 AGONISTS OF GPR40 GPR65, GPR55, GPR68 TNF 3212/4885RAB9A 2043/4885NOD1 683/4885

“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.