SCHEMBL17488298

SCHEMBL17488298

Nc1nc2ccc(NC3COC3)cc2n1Cc1ccc(Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 2/20 0.46
CXCL8 P10145 2/20 0.46
NOD1 Q9Y239 2/20 0.46
TNF P01375 1/20 0.46
NOD2 Q9HC29 1/20 0.46
LTA4H P09960 1/20 0.40
CSF1R P07333 1/20 0.39
P2RX3 P56373 9/20 0.39
KMT2A Q03164 1/20 0.39
IL6 P05231 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
KCNH2 Q12809 1/20 0.37
ROCK2 O75116 1/20 0.37

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
SCHEMBL17488296 0.90 P2RX3 (0.41) SOS1CXCL8NOD1TNFNOD2
SCHEMBL17488074 0.84 CXCL8 (0.57) CXCL8NOD1KMT2AALDH1A1HTT
SCHEMBL17487771 0.83 P2RX3 (0.42) NOD1LTA4HP2RX3HTTKCNH2
SCHEMBL17488109 0.81 P2RX3 (0.38) SOS1LTA4HP2RX3
SCHEMBL17488009 0.81 P2RX3 (0.40) LTA4HP2RX3
SCHEMBL18965766 0.79 NPC1 (0.50) LTA4HP2RX3KMT2AALDH1A1POLB
SCHEMBL17487315 0.79 SOS1 (0.59) SOS1CXCL8NOD1TNFNOD2
SCHEMBL18960382 0.77 SOS1 (0.56) SOS1CXCL8NOD1TNFNOD2
SCHEMBL17488073 0.77 CXCL8 (0.57) CXCL8NOD1KMT2AALDH1A1POLB
SCHEMBL17487435 0.75 P2RX3 (0.43) P2RX3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170166563-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS INSTITUT PASTEUR KOREA (KR) 2017-06-15 US disclosed
WO-2016016421-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS INSTITUT PASTEUR KOREA (KR) 2016-02-04 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-20170166563-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS ALOX5, ALOX15, ALOX12 SOS1 4452/4885CXCL8 834/4885NOD1 2374/4885

“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.