SCHEMBL2553087

SCHEMBL2553087

CCOC(=O)Nc1ccc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.56
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 3/20 0.53
PKM P14618 3/20 0.53
RAB9A P51151 3/20 0.53
MAPK1 P28482 2/20 0.53
ABCB1 P08183 1/20 0.53
ABCC1 P33527 1/20 0.53
CYP1A2 P05177 2/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
GAA P10253 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 2/20 0.49
MAPT P10636 1/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48

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
SCHEMBL6004947 0.87 CYP1A2 (0.65) KMT2AALDH1A1RAB9AMAPK1CYP1A2
SCHEMBL16654381 0.87 SMN1; SMN2 (0.56) KMT2AKDM4EALDH1A1PKMRAB9A
SCHEMBL9364514 0.87 KMT2A (0.58) KMT2AKDM4EALDH1A1PKMRAB9A
SCHEMBL11159531 0.85 MAPT (0.62) KMT2AKDM4EALDH1A1PKMRAB9A
SCHEMBL6004370 0.84 KMT2A (0.54) KMT2AKDM4EALDH1A1PKMRAB9A
SCHEMBL4993342 0.84 KMT2A (0.56) KMT2AKDM4EALDH1A1PKMRAB9A
SCHEMBL6005076 0.83 KMT2A (0.69) KMT2AKDM4EALDH1A1PKMRAB9A
SCHEMBL7556196 0.83 SMN1; SMN2 (0.67) KMT2AALDH1A1RAB9AMAPK1CYP1A2
SCHEMBL6004914 0.82 ALDH1A1 (0.54) KMT2AKDM4EALDH1A1PKMRAB9A
SCHEMBL975856 0.81 ABCB1 (0.53) KMT2AKDM4EALDH1A1PKMRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178559-B2 Organic compounds NOVARTIS AG (CH) 2012-05-15 US disclosed
US-8084450-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US disclosed
US-20110263560-A1 Organic Compounds NOVARTIS AG (CH) 2011-10-27 US disclosed
US-20090312304-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-17 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 (2 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-20110263560-A1 Organic Compounds REN, ACE, OTC KMT2A 2850/4885KDM4E 1140/4885ALDH1A1 21/4885
US-20090312304-A1 ORGANIC COMPOUNDS REN, ACE, PIGO KMT2A 3979/4885KDM4E 2265/4885ALDH1A1 36/4885

“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.