SCHEMBL2653166

SCHEMBL2653166

O=[N+]([O-])c1cc(C2CC2)ccc1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
HIF1A Q16665 1/20 0.55
VCAM1 P19320 1/20 0.51
MAPT P10636 5/20 0.44
LMNA P02545 5/20 0.44
HTT P42858 4/20 0.44
GAA P10253 2/20 0.44
MITF O75030 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ATM Q13315 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CA1 P00915 1/20 0.41
MMP2 P08253 1/20 0.41
CA14 Q9ULX7 1/20 0.41
MAPK1 P28482 2/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 1/20 0.36

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
SCHEMBL10252368 0.93 ALDH1A1 (0.51) ALDH1A1HIF1AVCAM1MAPTLMNA
SCHEMBL6922435 0.89 ALDH1A1 (0.47) ALDH1A1HIF1AVCAM1MAPTLMNA
SCHEMBL239105 0.86 TDP1 (0.56) ALDH1A1HIF1AVCAM1MAPTLMNA
SCHEMBL403033 0.80 SLC18A3 (0.45) ALDH1A1MAPTLMNAGAATDP1
SCHEMBL177098 0.79 ALDH1A1 (0.51) ALDH1A1HIF1AVCAM1MAPTLMNA
SCHEMBL177099 0.79 ALDH1A1 (0.51) ALDH1A1HIF1AVCAM1MAPTLMNA
SCHEMBL1970805 0.79 ATM (0.53) ALDH1A1HIF1AVCAM1MAPTLMNA
SCHEMBL29653738 0.79 ATM (0.53) ALDH1A1HIF1AVCAM1MAPTLMNA
SCHEMBL31570575 0.79 PDE4A (0.48) ALDH1A1HIF1AVCAM1MAPTLMNA
SCHEMBL17913158 0.79 ALDH1A1 (0.53) ALDH1A1MAPTLMNAGAATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025149622-A1 WNK1 INHIBITORS DANIA THERAPEUTICS APS (DK) 2025-07-17 WO disclosed
WO-2025037871-A1 TRICYCLIC COMPOUND AND USE THEREOF AS MAT2A INHIBITOR 에스케이바이오팜 주식회사 2025-02-20 WO disclosed
US-8519149-B2 Tricyclic compounds as mPGES-1 inhibitors GLENMARK PHARMACEUTICALS S.A. (CH) 2013-08-27 US disclosed
WO-2012055995-A1 TRICYCLIC COMPOUNDS AS MPGES-1 INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2012-05-03 WO disclosed
US-20120108583-A1 Tricyclic Compounds As mPGES-1 Inhibitors GLENMARK PHARMACEUTICALS S.A. (CH) 2012-05-03 US disclosed
US-7335777-B2 Benzimidazole derivatives and their use for modulating the GABAA receptor complex NEUROSEARCH A/S (DK) 2008-02-26 US disclosed
US-7335777-B2 Benzimidazole derivatives and their use for modulating the GABAA receptor complex NEUROSEARCH A/S (DK) 2008-02-26 US disclosed
US-7335777-B2 Benzimidazole derivatives and their use for modulating the GABAA receptor complex NEUROSEARCH A/S (DK) 2008-02-26 US disclosed
EP-1613312-B1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABA A RECEPTOR COMPLEX NEUROSEARCH AS (DK) 2008-02-20 EP disclosed
EP-1613312-B1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABA A RECEPTOR COMPLEX NEUROSEARCH AS (DK) 2008-02-20 EP disclosed
US-20060148856-A1 Benzimidazole derivatives and their use for modulating the gabaa receptor complex ANIONA APS (DK) 2006-07-06 US disclosed
EP-1613312-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABA sb A /sb RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2006-01-11 EP disclosed
WO-2004087137-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2004-10-14 WO disclosed
WO-2004087137-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2004-10-14 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 (2 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-20120108583-A1 Tricyclic Compounds As mPGES-1 Inhibitors PTGES, PTGS1, PTGIS ALDH1A1 263/4885HIF1A 2178/4885VCAM1 2826/4885
US-20060148856-A1 Benzimidazole derivatives and their use for modulating the gabaa receptor complex GABRB2, GABRB1, GABRB3 ALDH1A1 312/4885HIF1A 957/4885VCAM1 3667/4885

“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.