SCHEMBL6780780

SCHEMBL6780780

CCOC(=O)CNCc1ccc(C(=O)OC)cc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.60
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 4/20 0.49
MAPT P10636 2/20 0.49
RAB9A P51151 2/20 0.49
PKM P14618 2/20 0.49
PTGER4 P35408 1/20 0.49
NPC1 O15118 1/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
POLB P06746 2/20 0.48
KDM4E B2RXH2 1/20 0.48
VCAM1 P19320 1/20 0.48
USP10 Q14694 1/20 0.47
PDGFRB P09619 1/20 0.46
FGFR1 P11362 1/20 0.46
PDGFRA P16234 1/20 0.46
FLT1 P17948 1/20 0.46
FGFR3 P22607 1/20 0.46
KDR P35968 1/20 0.46

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
SCHEMBL6779982 0.91 LMNA (0.57) LMNAKMT2AALDH1A1MAPTRAB9A
SCHEMBL17957930 0.90 VCAM1 (0.52) LMNAKMT2AALDH1A1POLBVCAM1
SCHEMBL27202814 0.85 VCAM1 (0.54) LMNAKMT2AALDH1A1MAPTRAB9A
SCHEMBL2953971 0.81 PDK1 (0.62) LMNAKMT2AALDH1A1MAPTRAB9A
SCHEMBL17957636 0.81 HTT (0.49) LMNAKMT2AALDH1A1PKMPOLB
SCHEMBL18322621 0.80 MAPK1 (0.53) LMNAKMT2AALDH1A1MAPTRAB9A
SCHEMBL20594403 0.80 VCAM1 (0.57) LMNAKMT2AALDH1A1MAPTRAB9A
SCHEMBL31177678 0.79 LMNA (0.72) LMNAKMT2AALDH1A1MAPTRAB9A
SCHEMBL17184395 0.79 LMNA (0.72) LMNAKMT2AALDH1A1MAPTRAB9A
SCHEMBL6336196 0.78 LMNA (0.61) LMNAKMT2AALDH1A1MAPTRAB9A

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-6825191-B2 ANTICOAGULANT AJINOMOTO CO., INC. (JP) 2004-11-30 US disclosed
CN-1476446-A Benzodiazepine derivative ֮����ʽ���� 2004-02-18 CN 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 LMNA 2123/4885KMT2A 1574/4885ALDH1A1 633/4885

“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.