SCHEMBL17487445

SCHEMBL17487445

Nc1ccc2nc(N)n(Cc3ccc(Oc4nc5ccccc5o4)cc3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.46
CXCL8 P10145 1/20 0.46
SOS1 Q07889 1/20 0.46
NOD2 Q9HC29 1/20 0.46
NOD1 Q9Y239 1/20 0.46
KMT2A Q03164 1/20 0.46
HTT P42858 2/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
LTA4H P09960 7/20 0.43
KCNH2 Q12809 1/20 0.43
CSF1R P07333 5/20 0.42
P2RX3 P56373 1/20 0.41
CTSD P07339 1/20 0.40
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
GFER P55789 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL17487315 0.79 SOS1 (0.59) TNFCXCL8SOS1NOD2NOD1
SCHEMBL17487443 0.75 TYMS (0.47) TNFCXCL8SOS1NOD2NOD1
SCHEMBL17487436 0.74 SOS1 (0.44) TNFCXCL8SOS1NOD2NOD1
SCHEMBL17487358 0.72 SOS1 (0.48) TNFCXCL8SOS1NOD2NOD1
SCHEMBL29818654 0.72 LTA4H (0.61) LTA4HKCNH2CTSDNPC1TP53
SCHEMBL17487426 0.72 CXCL8 (0.50) TNFCXCL8SOS1NOD2NOD1
SCHEMBL28947457 0.71 ALDH1A1 (0.54) NOD2KMT2AALDH1A1LTA4HKCNH2
SCHEMBL4693099 0.71 LTA4H (0.71) LTA4HKCNH2
SCHEMBL10931478 0.70 MAOB (0.50) KMT2AHTTALDH1A1POLBLTA4H
SCHEMBL2169362 0.70 LTA4H (0.54) KMT2AALDH1A1POLBLTA4HKCNH2

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-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
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 TNF 2621/4885CXCL8 834/4885SOS1 4452/4885

“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.