SCHEMBL6776115

SCHEMBL6776115

O=C(O)CNCc1cc(F)ccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.49
KMT2A Q03164 3/20 0.49
KDM4E B2RXH2 1/20 0.49
TDP1 Q9NUW8 2/20 0.46
ATM Q13315 1/20 0.46
SNCA P37840 4/20 0.45
MAPT P10636 5/20 0.43
MEN1 O00255 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MAPK1 P28482 1/20 0.43
POLB P06746 1/20 0.41
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL3760394 0.89 ALDH1A1 (0.49) ALDH1A1KMT2AKDM4ETDP1ATM
SCHEMBL7644495 0.83 MAPT (0.41) ALDH1A1KMT2AKDM4EMAPTMEN1
SCHEMBL6780517 0.83 ALDH1A1 (0.53) ALDH1A1KMT2AKDM4EATMMAPT
SCHEMBL6780022 0.83 TSHR (0.47) ALDH1A1KDM4ETDP1MAPT
SCHEMBL5191387 0.82 TDP1 (0.49) ALDH1A1KMT2AKDM4ETDP1ATM
SCHEMBL10677552 0.82 LMNA (0.47) ALDH1A1KMT2AKDM4ETDP1ATM
SCHEMBL30937543 0.81 ALDH1A1 (0.41) ALDH1A1KMT2AKDM4ETDP1ATM
SCHEMBL3396060 0.80 CYP1A2 (0.55) ALDH1A1KMT2AKDM4ETDP1ATM
SCHEMBL3512780 0.80 ALDH1A1 (0.52) ALDH1A1KMT2AKDM4ETDP1ATM
SCHEMBL10600463 0.80 MAPT (0.49) KMT2AMAPTL3MBTL1MAPK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6825191-B2 ANTICOAGULANT AJINOMOTO CO., INC. (JP) 2004-11-30 US disclosed
US-20030186969-A1 Benzodiazepine derivatives AJINOMOTO CO. INC (JP) 2003-10-02 US disclosed
EP-1329450-A1 BENZODIAZEPINE DERIVATIVE Ajinomoto Co., Inc. (JP) 2003-07-23 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-20030186969-A1 Benzodiazepine derivatives GABRA1, F11, GABRA4 ALDH1A1 633/4885KMT2A 1574/4885KDM4E 1380/4885

“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.