SCHEMBL5346355

SCHEMBL5346355

COC(=O)c1ccccc1Cc1cc(Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
KDM4E B2RXH2 1/20 0.53
TDP1 Q9NUW8 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
HTT P42858 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
G6PD P11413 1/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
ADCY10 Q96PN6 1/20 0.45
LMNA P02545 1/20 0.44
KCNMA1 Q12791 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPT P10636 3/20 0.43
PLA2G1B P04054 1/20 0.43

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
SCHEMBL23242577 0.86 SMN1; SMN2 (0.53) MEN1KMT2AKDM4ESMN1; SMN2HTT
SCHEMBL29893548 0.86 SMN1; SMN2 (0.53) MEN1KMT2AKDM4ESMN1; SMN2HTT
SCHEMBL25666676 0.86 SMN1; SMN2 (0.59) MEN1KMT2AKDM4ESMN1; SMN2HTT
SCHEMBL14569736 0.83 NPC1 (0.50) MEN1KMT2AKDM4ESMN1; SMN2HTT
SCHEMBL15123457 0.82 PDE7A (0.49) MEN1KMT2AKDM4ETDP1SMN1; SMN2
SCHEMBL15227790 0.80 LMNA (0.55) MEN1KMT2AKDM4ETDP1SMN1; SMN2
SCHEMBL5347352 0.80 ABL1 (0.56) KDM4ENPC1RAB9AADCY10LMNA
SCHEMBL6703941 0.79 SMN1; SMN2 (0.47) MEN1KMT2AKDM4ESMN1; SMN2HTT
SCHEMBL31549875 0.79 TDP1 (0.70) MEN1KMT2ATDP1SMN1; SMN2MAPT
SCHEMBL40265 0.79 TDP1 (0.70) MEN1KMT2ATDP1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7196198-B2 Benzoic acid derivatives, processes for the preparation thereof and pharmaceutical agents comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2007-03-27 US disclosed
US-7196198-B2 Benzoic acid derivatives, processes for the preparation thereof and pharmaceutical agents comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2007-03-27 US disclosed
US-20040127487-A1 Benzoic acid derivatives, processes for the preparation thereof and pharmaceutical agents comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. 2004-07-01 US disclosed
US-6710205-B2 ANTIALLERGENS; ANTICANCER AGENTS; AUTOIMMUNE DISEASES; BONE DISORDERS; RHEUMATIC DISEASES; ANTIULCER AGENTS; SKIN DISORDERS ONO PHARMACEUTICAL CO., LTD. (JP) 2004-03-23 US disclosed
US-20030114435-A1 Benzoic acid derivatives, processes for producing the same and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2003-06-19 US disclosed
EP-1258473-A1 BENZOIC ACID DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2002-11-20 EP 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-20030114435-A1 Benzoic acid derivatives, processes for producing the same and drugs containing the same as the active ingredient ALOX5, PDGFRB, ALOX15B MEN1 1416/4885KMT2A 2119/4885KDM4E 1731/4885
US-20040127487-A1 Benzoic acid derivatives, processes for the preparation thereof and pharmaceutical agents comprising the same as active ingredient PDGFRB, ALOX5, ALOX15B MEN1 1455/4885KMT2A 2076/4885KDM4E 1755/4885

“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.