SCHEMBL6779809

SCHEMBL6779809

COc1ccc(CNCC(=O)O)c([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
MAPT P10636 5/20 0.50
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 5/20 0.49
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
MAPK1 P28482 2/20 0.49
ALDH1A1 P00352 4/20 0.48
AKR1C3 P42330 3/20 0.48
AKR1C2 P52895 3/20 0.48
POLB P06746 2/20 0.46
KDM4E B2RXH2 1/20 0.46
AKR1B10 O60218 1/20 0.46
AKR1B1 P15121 1/20 0.46
AKR1C4 P17516 1/20 0.46
AKR1C1 Q04828 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
SCHEMBL4014665 0.82 CYP1A2 (0.63) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL2436193 0.82 CYP1A2 (0.63) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL26089196 0.81 RAB9A (0.52) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL14188955 0.80 POLB (0.49) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL6775866 0.80 CYP1A2 (0.49) MAPTNPC1RAB9AMAPK1ALDH1A1
SCHEMBL3760394 0.80 ALDH1A1 (0.49) MEN1KMT2AMAPTLMNAMAPK1
SCHEMBL6774797 0.80 CYP1A2 (0.46) MEN1KMT2AMAPTRAB9AMAPK1
SCHEMBL6866453 0.79 APLNR (0.71) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL9614520 0.79 ALDH1A1 (0.50) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL8399917 0.78 SMN1; SMN2 (0.61) MEN1KMT2AMAPTLMNASMN1; SMN2

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 MEN1 2558/4885KMT2A 1574/4885MAPT 3465/4885

“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.