SCHEMBL16098875

SCHEMBL16098875

N#Cc1cc(Cl)cc([N+](=O)[O-])c1-c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 4/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ PDE7A Q13946 1/20 0.42
▸ PDE7B Q9NP56 1/20 0.42
▸ CRHBP P24387 1/20 0.41
▸ CRHR2 Q13324 1/20 0.41
▸ KIF18A Q8NI77 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ PIN1 Q13526 1/20 0.40
▸ FASN P49327 1/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 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
SCHEMBL17867929 0.78 ALDH1A1 (0.55) L3MBTL1PDE7APDE7BCRHBPCRHR2
SCHEMBL31419521 0.77 VCAM1 (0.64) VCAM1L3MBTL1KIF18AMAPTHPGD
SCHEMBL11504122 0.77 VCAM1 (0.64) VCAM1L3MBTL1KIF18AMAPTHPGD
SCHEMBL23579224 0.76 L3MBTL1 (0.45) VCAM1L3MBTL1PDE7APDE7BCRHBP
SCHEMBL11031129 0.75 VCAM1 (0.41) VCAM1CRHBPCRHR2MAPTALDH1A1
SCHEMBL16098376 0.75 VCAM1 (0.49) VCAM1CRHBPCRHR2MAPTHPGD
SCHEMBL31374276 0.74 VCAM1 (0.60) VCAM1L3MBTL1PDE7APDE7BMAPT
SCHEMBL16096964 0.74 VCAM1 (0.60) VCAM1MAPTHPGDALDH1A1TDP1
SCHEMBL31374260 0.74 VCAM1 (0.60) VCAM1L3MBTL1MAPTHPGDALDH1A1
SCHEMBL23118050 0.74 VCAM1 (0.60) VCAM1L3MBTL1MAPTHPGDALDH1A1

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-9708340-B2 Urea derivatives and their use as fatty-acid binding protein (FABP) inhibitors HOFFMANN-LA ROCHE INC. (US) 2017-07-18 — — US disclosed
US-20160185795-A1 UREA DERIVATIVES AND THEIR USE AS FATTY-ACID BINDING PROTEIN (FABP) INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2016-06-30 — — US disclosed
WO-2014146994-A1 UREA DERIVATIVES AND THEIR USE AS FATTY-ACID BINDING PROTEIN (FABP) INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2014-09-25 — — 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-20160185795-A1 UREA DERIVATIVES AND THEIR USE AS FATTY-ACID BINDING PROTEIN (FABP) INHIBITORS FABP1, FABP5, FABP2 VCAM1 1340/4885L3MBTL1 2268/4885PDE7A 3264/4885

“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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