SCHEMBL7973732

SCHEMBL7973732

CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 2/20 0.68
ALDH1A1 P00352 4/20 0.62
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
KDM4E B2RXH2 1/20 0.62
HPGD P15428 2/20 0.61
HSP90AA1 P07900 1/20 0.61
PKM P14618 1/20 0.60
LMNA P02545 3/20 0.59
MAPT P10636 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
RAF1 P04049 1/20 0.57
MAPK1 P28482 1/20 0.57
GFER P55789 1/20 0.57
PAX8 Q06710 1/20 0.57
ALPL P05186 1/20 0.56

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
SCHEMBL30871113 0.87 MAPT (0.66) VCAM1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL27967569 0.85 VCAM1 (0.70) VCAM1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL22734863 0.85 CASP6 (0.62) VCAM1ALDH1A1MEN1KMT2AHPGD
SCHEMBL4343389 0.84 ALDH1A1 (0.66) VCAM1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL4497059 0.83 ALDH1A1 (0.68) VCAM1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL6866237 0.83 VCAM1 (0.62) VCAM1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL544644 0.82 TSHR (0.68) ALDH1A1MEN1KMT2AHPGDHSP90AA1
SCHEMBL239454 0.81 VCAM1 (0.74) VCAM1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL30811551 0.81 VCAM1 (0.74) VCAM1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL9851947 0.81 VCAM1 (0.64) VCAM1ALDH1A1MEN1KMT2AKDM4E

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-20130131134-A1 PHENYLPROPIONIC ACID DERIVATIVE AND USE THEREOF MORITA KOHEI (JP) 2013-05-23 US disclosed
US-6204264-B1 Benzimidazole derivative, hair growth promoter and external composition for skin using the same SHISEIDO CO., LTD. (JP) 2001-03-20 US disclosed
CN-1263887-A Benzimidazole derivative and hair maintaining agent, skin external use agent SHISEIDO CO LTD (JP) 2000-08-23 CN disclosed
EP-0989123-A1 Benzimidazole derivative, hair growth promoter and external composition for skin using the same SHISEIDO COMPANY LIMITED (JP) 2000-03-29 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 (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-20130131134-A1 PHENYLPROPIONIC ACID DERIVATIVE AND USE THEREOF PLA2G12A, PLA2G4A, PLA2G4B VCAM1 1965/4885ALDH1A1 839/4885MEN1 4753/4885

“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.