SCHEMBL17487443

SCHEMBL17487443

Nc1ccc2nc(N)n(Cc3ccc(Oc4ccc(OC(F)(F)F)cc4)cc3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TYMS P04818 1/20 0.47
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
HTT P42858 1/20 0.43
SOS1 Q07889 2/20 0.42
NOD1 Q9Y239 2/20 0.42
TNF P01375 1/20 0.42
CXCL8 P10145 1/20 0.42
NOD2 Q9HC29 1/20 0.42
KMT2A Q03164 1/20 0.42
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41
ALOX5AP P20292 8/20 0.41
CSF1R P07333 2/20 0.39
NTRK1 P04629 1/20 0.39
NTRK2 Q16620 1/20 0.39
TRPC5 Q9UL62 1/20 0.39
BRD4 O60885 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 0.85 SOS1 (0.59) ALDH1A1POLBHTTSOS1NOD1
SCHEMBL17487436 0.81 SOS1 (0.44) ALDH1A1POLBHTTSOS1NOD1
SCHEMBL17488070 0.80 NOD1 (0.52) TYMSHTTNOD1CXCL8KMT2A
SCHEMBL17487442 0.80 THRB (0.44) POLB
SCHEMBL17487358 0.76 SOS1 (0.48) ALDH1A1POLBHTTSOS1NOD1
SCHEMBL17487426 0.76 CXCL8 (0.50) ALDH1A1POLBHTTSOS1NOD1
SCHEMBL18960428 0.76 NPC1 (0.47) TYMSALDH1A1KMT2AGRIN1GRIN2B
SCHEMBL17488183 0.75 NOD1 (0.52) ALDH1A1POLBHTTSOS1NOD1
SCHEMBL17487445 0.75 TNF (0.46) ALDH1A1POLBHTTSOS1NOD1
SCHEMBL17488287 0.75 HPGD (0.51) ALDH1A1POLBHTTKMT2ANTRK1

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 TYMS 2005/4885ALDH1A1 582/4885POLB 2562/4885

“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.