SCHEMBL23714010

SCHEMBL23714010

CCOP(=O)(Cc1ccn(-c2ccc([N+](=O)[O-])cc2)n1)OCC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.53
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
MAPT P10636 8/20 0.45
ALDH1A1 P00352 3/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.40
POLB P06746 1/20 0.40
AR P10275 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
MEN1 O00255 1/20 0.36

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
SCHEMBL23713992 0.82 PDE4D (0.36) HTTALDH1A1CYP3A4TSHRLMNA
SCHEMBL23713991 0.82 AR (0.41) HTTCA1CA2BCHEACHE
SCHEMBL23701902 0.80 HTT (0.56) HTTCA1CA2MAPTALDH1A1
SCHEMBL23714051 0.79 AR (0.55) HTTMAPTCYP3A4TSHRPOLB
SCHEMBL31274003 0.77 HTT (0.62) HTTCA1CA2MAPTTSHR
SCHEMBL23713999 0.76 CYP3A4 (0.37) ALDH1A1CYP3A4HSD17B10AR
SCHEMBL10699979 0.76 HTT (0.60) HTTMAPTPOLBARLMNA
SCHEMBL78561 0.75 CA1 (0.58) CA1CA2BCHEACHEMAPT
SCHEMBL19456941 0.75 HTT (0.60) HTTMAPTALDH1A1POLBAR
SCHEMBL23714095 0.73 AR (0.39) AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210238187-A1 AZIRIDINE CONTAINING EPOTHILONE ANALOGS, METHODS OF SYNTHESIS, METHODS OF TREATMENT, AND DRUG CONJUGATES WILLIAM MARSH RICE UNIVERSITY (US) 2021-08-05 US disclosed
CN-110944664-A Aziridines containing epothilone analogs, methods of synthesis, methods of treatment, and drug conjugates 威廉马歇莱思大学 2020-03-31 CN 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-20210238187-A1 AZIRIDINE CONTAINING EPOTHILONE ANALOGS, METHODS OF SYNTHESIS, METHODS OF TREATMENT, AND DRUG CONJUGATES EPOR, EZR, CD47 HTT 3328/4885CA1 3842/4885CA2 4138/4885

“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.