SCHEMBL16039290

SCHEMBL16039290

O=[N+]([O-])c1c(F)cc(O)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.50
▸ TSHR P16473 3/20 0.50
▸ NPC1 O15118 3/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ MAPT P10636 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ HSP90AA1 P07900 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ GRIN2D O15399 4/20 0.40
▸ GRIN3B O60391 4/20 0.40
▸ GRIN1 Q05586 4/20 0.40
▸ GRIN2A Q12879 4/20 0.40
▸ GRIN2B Q13224 4/20 0.40
▸ GRIN2C Q14957 4/20 0.40
▸ GRIN3A Q8TCU5 4/20 0.40
▸ CYP3A4 P08684 2/20 0.38

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
SCHEMBL1899575 0.86 ALDH1A1 (0.67) ALDH1A1TSHRNPC1RAB9AMAPT
SCHEMBL1283214 0.86 TTR (0.41) ALDH1A1TSHRMAPTMEN1KMT2A
SCHEMBL5872583 0.80 ALDH1A1 (0.72) ALDH1A1TSHRNPC1RAB9AMAPT
SCHEMBL14247122 0.77 ALDH1A1 (0.50) ALDH1A1TSHRNPC1RAB9AMAPT
SCHEMBL2792876 0.74 TSHR (0.53) ALDH1A1TSHRNPC1RAB9AMAPT
SCHEMBL30038307 0.74 TSHR (0.53) ALDH1A1TSHRNPC1RAB9AMAPT
SCHEMBL18669411 0.73 GPR35 (0.46) ALDH1A1TSHRNPC1RAB9AMAPT
SCHEMBL14247077 0.73 VCAM1 (0.51) ALDH1A1TSHRNPC1RAB9AMAPT
SCHEMBL4660922 0.73 TTR (0.34) ALDH1A1TSHRMAPTMEN1KMT2A
SCHEMBL26790702 0.73 ALDH1A1 (0.60) ALDH1A1TSHRNPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9695149-B2 1,2,6-substituted benzimidazoles as flap modulators JANSSEN PHARMACEUTICA NV (BE) 2017-07-04 — — US disclosed
US-20160039790-A1 1,2,6-SUBSTITUTED BENZIMIDAZOLES AS FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2016-02-11 — — US disclosed
US-9089569-B2 1,2,6-substituted benzimidazoles as flap modulators JANSSEN PHARMACEUTICA NV (BE) 2015-07-28 — — US disclosed
US-20150119382-A1 1,2,6-SUBSTITUTED BENZIMIDAZOLES AS FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2015-04-30 — — US disclosed
US-8952177-B2 1,2,6-substituted benzimidazoles as FLAP modulators JANSSEN PHARMACEUTICA NV (BE) 2015-02-10 — — US disclosed
WO-2014151380-A1 1,2,6-SUBSTITUTED BENZIMIDAZOLES AS FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-09-25 — — WO disclosed
US-20140275029-A1 1,2,6-SUBSTITUTED BENZIMIDAZOLES AS FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-09-18 — — US 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 (3 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-20160039790-A1 1,2,6-SUBSTITUTED BENZIMIDAZOLES AS FLAP MODULATORS FEN1, FOXM1, F12 ALDH1A1 58/4885TSHR 3677/4885NPC1 3186/4885
US-20140275029-A1 1,2,6-SUBSTITUTED BENZIMIDAZOLES AS FLAP MODULATORS FEN1, FOXM1, F12 ALDH1A1 58/4885TSHR 3677/4885NPC1 3186/4885
US-20150119382-A1 1,2,6-SUBSTITUTED BENZIMIDAZOLES AS FLAP MODULATORS FEN1, FOXM1, F12 ALDH1A1 58/4885TSHR 3677/4885NPC1 3186/4885

“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.

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