SCHEMBL622263

SCHEMBL622263

O=C(O)CNc1ccc(F)cc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.64
KCNMA1 Q12791 1/20 0.51
HCAR3 P49019 6/20 0.50
MAPT P10636 5/20 0.47
TDP1 Q9NUW8 3/20 0.47
MAPK1 P28482 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
PKM P14618 1/20 0.47
HTT P42858 1/20 0.46
LMNA P02545 1/20 0.46
ATM Q13315 1/20 0.45

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
SCHEMBL4695415 0.85 HCAR3 (0.52) ALDH1A1KCNMA1HCAR3MAPTTDP1
SCHEMBL30697332 0.85 HCAR3 (0.52) ALDH1A1KCNMA1HCAR3MAPTTDP1
SCHEMBL3841711 0.84 LMNA (0.55) ALDH1A1KCNMA1HCAR3MAPTTDP1
SCHEMBL468372 0.83 ALDH1A1 (0.61) ALDH1A1HCAR3MAPTMAPK1KMT2A
SCHEMBL7482776 0.82 ALDH1A1 (0.60) ALDH1A1KCNMA1HCAR3MAPTTDP1
SCHEMBL11463783 0.82 KAT2B (0.62) ALDH1A1KCNMA1HCAR3MAPTTDP1
SCHEMBL16423449 0.82 ALDH1A1 (0.60) ALDH1A1HCAR3MAPTMAPK1KMT2A
SCHEMBL16423450 0.82 ALDH1A1 (0.60) ALDH1A1HCAR3MAPTMAPK1KMT2A
SCHEMBL5113536 0.81 KMT2A (0.70) ALDH1A1KCNMA1MAPTMAPK1KMT2A
SCHEMBL5113527 0.81 KMT2A (0.70) ALDH1A1KCNMA1MAPTMAPK1KMT2A

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
US-9133219-B2 Bicyclic antibiotics BASILEA PHARMACEUTICA AG (CH) 2015-09-15 US disclosed
US-20150080373-A1 NOVEL BICYCLIC ANTIBIOTICS Basiliea Pharmaceutica AG 2015-03-19 US disclosed
US-8927542-B2 Bicyclic antibiotics BASILEA PHARMACEUTICA AG (CH) 2015-01-06 US disclosed
US-20140221348-A1 NOVEL BICYCLIC ANTIBIOTICS BASILEA PHARMACEUTICA AG (CH) 2014-08-07 US disclosed
US-8716280-B2 Bicyclic antibiotics BASILEA PHARMACEUTICA AG (CH) 2014-05-06 US disclosed
CN-102361863-A Novel bicyclic antibiotics BASILEA PHARMACEUTICA AG 2012-02-22 CN disclosed
US-20120040957-A1 Novel Bicyclic Antibiotics BASILEA PHARMACEUTICA AG 2012-02-16 US disclosed
EP-2389376-A1 NOVEL BICYCLIC ANTIBIOTICS Basilea Pharmaceutica AG (CH) 2011-11-30 EP disclosed
WO-2010084152-A1 NOVEL BICYCLIC ANTIBIOTICS BASILEA PHARMACEUTICA AG (CH) 2010-07-29 WO disclosed
US-RE30415-E ANTIINFLAMMATORY AGENTS, ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1980-10-07 US disclosed
US-RE30314-E ANTIINFLAMMATORY, ANTITHROMBOTIC ELI LILLY AND COMPANY (US) 1980-06-24 US disclosed
US-4133884-A Substituted pyrroloquinoxalinones and diones used in treating inflammation in warm blooded mammals ELI LILLY AND COMPANY (US) 1979-01-09 US disclosed
US-4087527-A ANTIINFLAMMATORY AND ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1978-05-02 US disclosed
US-4075206-A ANTIINFLAMMATORY, ANTITHROMBOTIC ELI LILLY AND COMPANY (US) 1978-02-21 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-20120040957-A1 Novel Bicyclic Antibiotics C5, C1S, CBR3 ALDH1A1 4235/4885KCNMA1 1287/4885HCAR3 99/4885
US-20140221348-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH ALDH1A1 4353/4885KCNMA1 2134/4885HCAR3 188/4885
US-20150080373-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH ALDH1A1 4353/4885KCNMA1 2134/4885HCAR3 188/4885

“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.