SCHEMBL11293522

SCHEMBL11293522

CC(=O)N(C)c1cc(F)c(F)c(F)c1[N+](=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FSCN1 Q16658 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.32
▸ HCAR3 P49019 1/20 0.32
▸ KMT2A Q03164 3/20 0.31
▸ HTT P42858 2/20 0.31
▸ DCTPP1 Q9H773 1/20 0.31
▸ CA1 P00915 2/20 0.31
▸ CA2 P00918 2/20 0.31
▸ CA4 P22748 2/20 0.31
▸ GRIN2D O15399 2/20 0.31
▸ GRIN3B O60391 2/20 0.31
▸ GRIN1 Q05586 2/20 0.31
▸ GRIN2A Q12879 2/20 0.31
▸ GRIN2B Q13224 2/20 0.31
▸ GRIN2C Q14957 2/20 0.31
▸ GRIN3A Q8TCU5 2/20 0.31
▸ ATM Q13315 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ ITGB1 P05556 1/20 0.30
▸ ITGA5 P08648 1/20 0.30

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
SCHEMBL17751208 0.88 GRIN2D (0.38) FSCN1ALDH1A1HCAR3KMT2ADCTPP1
SCHEMBL12459289 0.80 ABL1 (0.31) ALDH1A1KMT2AHTTGAA
SCHEMBL27162658 0.80 CYP1A2 (0.33) FSCN1ALDH1A1KMT2AGRIN2DGRIN3B
SCHEMBL23524810 0.79 ALDH1A1 (0.36) FSCN1ALDH1A1HCAR3KMT2AHTT
SCHEMBL27162647 0.76 PKM (0.37) ALDH1A1KMT2AHTTKDM4EMEN1
SCHEMBL20560581 0.75 GRIN2D (0.33) ALDH1A1DCTPP1CA1CA2CA4
SCHEMBL11299321 0.74 TSPO (0.45) ALDH1A1KMT2AHTTKDM4EMEN1
SCHEMBL23524833 0.74 GRIN2D (0.33) FSCN1ALDH1A1HCAR3KMT2AHTT
SCHEMBL23525116 0.74 LMNA (0.40) ALDH1A1HCAR3KMT2AHTTATM
SCHEMBL29785553 0.74 ATM (0.34) ALDH1A1KMT2AHTTGRIN2DGRIN3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0003263-B1 A METHOD OF FORMING AN IMAGE, AND AN IMAGING ELEMENT FOR INHIBITING IMAGE FORMATION WITH COBALT (III) COMPLEXES EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1982-09-29 — — EP claimed
EP-0003263-A1 A method of forming an image, and an imaging element for inhibiting image formation with cobalt (III) complexes EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1979-08-08 — — EP claimed
WO-1979000448-A1 INHIBITING IMAGE FORMATION WITH COBALT(III)COMPLEXES EASTMAN KODAK CO (US) 1979-07-26 — — WO claimed
US-10865216-B2 Tricyclic Gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2020-12-15 — — US disclosed
US-10858360-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2020-12-08 — — US disclosed
US-20170369498-A1 TRICYCLIC GYRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-12-28 — — US disclosed
US-9732083-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-15 — — US disclosed
US-9732083-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-15 — — US disclosed
US-20150246934-A1 TRICYCLIC GYRASE INHIBITORS MERCK SHARP & DOHME LLC 2015-09-03 — — US disclosed
US-20150246934-A1 TRICYCLIC GYRASE INHIBITORS MERCK SHARP & DOHME LLC 2015-09-03 — — US disclosed
WO-2014043272-A1 TRICYCLIC GYRASE INHIBITORS FOR USE AS ANTIBACTERIAL AGENTS TRIUS THERAPEUTICS INC. (US) 2014-03-20 — — WO disclosed
US-20120238751-A1 TRICYCLIC GYRASE INHIBITORS TRIUS THERAPEUTICS, INC. (US) 2012-09-20 — — US disclosed
US-20120238751-A1 TRICYCLIC GYRASE INHIBITORS TRIUS THERAPEUTICS, INC. (US) 2012-09-20 — — 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 (5 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-20120238751-A1 TRICYCLIC GYRASE INHIBITORS TOP1, TOP2A, TOP2B FSCN1 4108/4885ALDH1A1 1898/4885HCAR3 3655/4885
US-20150246934-A1 TRICYCLIC GYRASE INHIBITORS TOP1, TOP2A, TOP2B FSCN1 3891/4885ALDH1A1 1726/4885HCAR3 3681/4885
US-10858360-B2 Tricyclic gyrase inhibitors TOP1, TOP2A, TOP2B FSCN1 4108/4885ALDH1A1 1898/4885HCAR3 3655/4885
US-20170369498-A1 TRICYCLIC GYRASE INHIBITORS TOP1, TOP2A, TOP2B FSCN1 4108/4885ALDH1A1 1898/4885HCAR3 3655/4885
US-10865216-B2 Tricyclic Gyrase inhibitors TOP1, TOP2A, TOP2B FSCN1 3891/4885ALDH1A1 1726/4885HCAR3 3681/4885

“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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