SCHEMBL12845562

SCHEMBL12845562

Nc1cc(N=O)ccc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.34
▸ HSD17B10 Q99714 5/20 0.34
▸ TDP1 Q9NUW8 3/20 0.34
▸ LMNA P02545 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ ESR2 Q92731 1/20 0.34
▸ TSHR P16473 3/20 0.33
▸ TP53 P04637 2/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ HIF1A Q16665 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ GMNN O75496 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ THPO P40225 1/20 0.33

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
SCHEMBL1109086 0.82 ALDH1A1 (0.50) ALDH1A1HSD17B10TDP1LMNAMAPT
SCHEMBL10206836 0.78 TDP1 (0.43) ALDH1A1HSD17B10TDP1LMNAMAPT
SCHEMBL4403906 0.78 CES2 (0.41) ALDH1A1HSD17B10TDP1LMNAMAPT
SCHEMBL27716593 0.77 LMNA (0.32) ALDH1A1HSD17B10TDP1LMNAMAPT
SCHEMBL13329910 0.74 ALDH1A1 (0.34) ALDH1A1HSD17B10TDP1LMNAMAPT
SCHEMBL13131511 0.73 IDO1 (0.50) ALDH1A1TDP1LMNAMAPTTSHR
SCHEMBL11295534 0.73 TSHR (0.50) ALDH1A1HSD17B10TDP1LMNAMAPT
SCHEMBL19381131 0.73 IDO1 (0.45) IDO1
SCHEMBL14996747 0.73 ALDH1A1 (0.33) ALDH1A1HSD17B10TDP1LMNAMAPT
SCHEMBL13196361 0.73 DAPK3 (0.38) ALDH1A1HSD17B10TDP1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10662193-B2 Carbazole and carboline compounds for use in the diagnosis, treatment, alleviation or prevention of disorders associated with amyloid or amyloid-like proteins AC IMMUNE SA (CH) 2020-05-26 — — US disclosed
US-20120316135-A1 Compounds for Inhibiting Cell Proliferation in EGFR-Driven Cancers ARIAD PHARMACEUTICALS, INC. (US) 2012-12-13 — — US disclosed
US-7902239-B2 Diaminotriazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-08 — — US disclosed
US-7868204-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 — — US disclosed
US-7854863-B2 Functional materials for use in optical systems BATTELLE MEMORIAL INSTITUTE (US) 2010-12-21 — — US disclosed
US-7838520-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2010-11-23 — — US disclosed
US-7595343-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2009-09-29 — — US disclosed
US-20080014189-A1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED 2008-01-17 — — 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-10662193-B2 Carbazole and carboline compounds for use in the diagnosis, treatment, alleviation or prevention of disorders associated with amyloid or amyloid-like proteins APP, BACE1, PSEN1 ALDH1A1 2201/4885HSD17B10 1876/4885TDP1 1154/4885
US-20120316135-A1 Compounds for Inhibiting Cell Proliferation in EGFR-Driven Cancers EGFR, MKI67, ERBB2 ALDH1A1 1376/4885HSD17B10 1534/4885TDP1 4383/4885
US-20080014189-A1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES MAP3K20, MAP3K1, MAP3K5 ALDH1A1 3235/4885HSD17B10 4060/4885TDP1 622/4885

“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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