SCHEMBL17487442

SCHEMBL17487442

Nc1ccc2nc(N)n(Cc3ccc(Oc4ccc(C(F)(F)F)cn4)cc3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.44
LIPE Q05469 1/20 0.42
SCN9A Q15858 10/20 0.42
SCN10A Q9Y5Y9 2/20 0.41
SCN7A Q01118 3/20 0.41
KCNH2 Q12809 3/20 0.41
P2RX3 P56373 2/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPK1 P28482 1/20 0.41
SCN5A Q14524 2/20 0.41
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL17487358 0.85 SOS1 (0.48) P2RX3KDM4EPOLB
SCHEMBL17487426 0.85 CXCL8 (0.50) P2RX3KDM4EPOLB
SCHEMBL17487443 0.80 TYMS (0.47) POLB
SCHEMBL18960418 0.79 NPC1 (0.44) THRBLIPESCN9ASCN10ASCN7A
SCHEMBL17487402 0.77 ALDH1A1 (0.48) P2RX3POLB
SCHEMBL17487315 0.77 SOS1 (0.59) KCNH2MAPTKDM4EPOLBRAB9A
SCHEMBL18960413 0.77 CXCL8 (0.46) P2RX3KDM4EPOLB
SCHEMBL17487436 0.77 SOS1 (0.44) P2RX3KDM4EPOLB
SCHEMBL4728325 0.75 KDM4E (0.62) THRBLIPEMAPTNPSR1MAPK1
SCHEMBL17487449 0.74 CSF1R (0.46) 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 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 THRB 2050/4885LIPE 903/4885SCN9A 2973/4885

“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.