SCHEMBL1241995

SCHEMBL1241995

CC(=O)OCCc1ccc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
PDK1 Q15118 1/20 0.39
ABCB1 P08183 1/20 0.39
ABCC1 P33527 1/20 0.39
MAPK1 P28482 2/20 0.38
PKM P14618 2/20 0.38
RAB9A P51151 1/20 0.38
S100A4 P26447 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
MEN1 O00255 1/20 0.36
GLA P06280 1/20 0.36
KMT2A Q03164 1/20 0.36
RAD52 P43351 1/20 0.35

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
SCHEMBL27661302 0.90 ALDH1A1 (0.40) ALDH1A1TDP1KDM4ECYP1A2ABCB1
SCHEMBL6065335 0.89 ALDH1A1 (0.49) ALDH1A1TDP1KDM4ECYP1A2PDK1
SCHEMBL27732126 0.87 KDM4E (0.40) ALDH1A1TDP1KDM4ECYP1A2PDK1
SCHEMBL16390168 0.84 ALDH1A1 (0.61) ALDH1A1TDP1KDM4ECYP1A2MAPK1
SCHEMBL27956781 0.80 HPD (0.48) ALDH1A1MAPK1PKMRAB9AMEN1
SCHEMBL3007205 0.79 CYP1A2 (0.50) KDM4ECYP1A2PDK1ABCB1ABCC1
SCHEMBL29433438 0.79 CYP1A2 (0.50) KDM4ECYP1A2PDK1ABCB1ABCC1
SCHEMBL7421292 0.79 MAOB (0.52) ALDH1A1RAB9AMEN1KMT2A
SCHEMBL18498886 0.78 MAOB (0.40) ALDH1A1TDP1KDM4ECYP1A2ABCB1
SCHEMBL25565309 0.78 ALDH1A1 (0.51) ALDH1A1TDP1KDM4EPDK1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101056632-B Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2011-12-07 CN disclosed
US-7879808-B2 potent activity against resistant pneumococci; for treating domestic fowl MEIJI SEIKA KAISHA, LTD. (JP) 2011-02-01 US disclosed
US-20100210570-A1 LINCOMYCIN DERIVATIVES AND ANTIMICROBIAL AGENTS COMPRISING THE SAME AS ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD. (JP) 2010-08-19 US disclosed
EP-2151447-A1 LINCOMYCIN DERIVATIVES AND ANTIBACTERIAL AGENTS CONTAINING THE SAME AS THE ACTIVE INGREDIENT Meiji Seika Kaisha Ltd. (JP) 2010-02-10 EP disclosed
CN-101522026-A Protein kinase inhibitors and methods for using thereof IRM LLC (VG) 2009-09-02 CN disclosed
CN-1240677-C Monofluoroalkyl derivatives LILLY CO ELI (US) 2006-02-08 CN disclosed
CN-1349497-A Monofluoroalkyl derivatives LILLY CO ELI (US) 2002-05-15 CN 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-20100210570-A1 LINCOMYCIN DERIVATIVES AND ANTIMICROBIAL AGENTS COMPRISING THE SAME AS ACTIVE INGREDIENT LAS1L, LCLAT1, LYPLA1 ALDH1A1 3224/4885TDP1 4210/4885KDM4E 3818/4885

“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.