Sugi Predict

Sugi Predict / Compounds / SCHEMBL2115890

SCHEMBL2115890

SCHEMBL2115890

O=c1ccc2cc([N+](=O)[O-])cc(Br)c2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.49
▸ CA9 Q16790 1/20 0.49
▸ ALDH1A1 P00352 3/20 0.44
▸ GLA P06280 1/20 0.44
▸ CYP3A4 P08684 1/20 0.41
▸ NQO2 P16083 1/20 0.41
▸ BCL6 P41182 1/20 0.37
▸ BCOR Q6W2J9 1/20 0.37
▸ GRIN2D O15399 2/20 0.37
▸ GRIN3B O60391 2/20 0.37
▸ GRIN1 Q05586 2/20 0.37
▸ GRIN2A Q12879 2/20 0.37
▸ GRIN2B Q13224 2/20 0.37
▸ GRIN2C Q14957 2/20 0.37
▸ GRIN3A Q8TCU5 2/20 0.37
▸ GRIA1 P42261 1/20 0.37
▸ GRIA2 P42262 1/20 0.37
▸ GRIA3 P42263 1/20 0.37
▸ GRIA4 P48058 1/20 0.37
▸ MEN1 O00255 2/20 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
SCHEMBL7276588 0.81 SMN1; SMN2 (0.47) CA12CA9ALDH1A1CYP3A4GRIN2D
SCHEMBL30856079 0.77 MAOA (0.45) ALDH1A1CYP3A4MEN1KMT2ATDP1
SCHEMBL6786544 0.77 ALDH1A1 (0.46) ALDH1A1GLACYP3A4NQO2MEN1
SCHEMBL20660801 0.74 CA12 (0.56) CA12CA9ALDH1A1MAPTTYMS
SCHEMBL1368732 0.73 ALDH1A1 (0.43) CA12CA9ALDH1A1GLACYP3A4
SCHEMBL2118057 0.73 TSHR (0.46) ALDH1A1CYP3A4MEN1KMT2ATSHR
SCHEMBL3998522 0.73 CA12 (0.55) CA12CA9ALDH1A1LMNAMAPT
SCHEMBL1082689 0.71 GRIA1 (0.56) CA12CA9ALDH1A1CYP3A4GRIA1
SCHEMBL4427396 0.69 GRIA1 (0.58) CA12CA9ALDH1A1CYP3A4GRIA1
SCHEMBL6365134 0.69 CA12 (0.50) CA12CA9GRIN2CKMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4524135-A1 KINESIN KIF18A INHIBITOR AND USE THEREOF Shanghai Apeiron Therapeutics Company Limited (CN) 2025-03-19 — — EP disclosed
CN-119212988-A Kinesin KIF18A inhibitor and application thereof 上海湃隆生物科技有限公司 2024-12-27 — — CN disclosed
WO-2023217230-A1 KINESIN KIF18A INHIBITOR AND USE THEREOF 上海湃隆生物科技有限公司 2023-11-16 — — WO disclosed
US-20120094958-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE NOVARTIS AG (CH) 2012-04-19 — — US disclosed
EP-2250152-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE Novartis AG (CH) 2010-11-17 — — EP disclosed
WO-2009106586-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE NOVARTIS AG (CH) 2009-09-03 — — 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-20120094958-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE FDPS, GGPS1, CTPS1 CA12 4845/4885CA9 4491/4885ALDH1A1 1398/4885

“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.