SCHEMBL16440970

SCHEMBL16440970

CN1CCOc2cc(/C=N\O)ccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.50
TRPM5 Q9NZQ8 1/20 0.48
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
NOTUM Q6P988 1/20 0.43
ALDH1A1 P00352 6/20 0.41
HTT P42858 1/20 0.41
RECQL P46063 1/20 0.41
GRM5 P41594 1/20 0.40
HDAC4 P56524 2/20 0.40
HPGD P15428 2/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
PTGES2 Q9H7Z7 1/20 0.39
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 1/20 0.38
KMT2A Q03164 2/20 0.38
ATM Q13315 1/20 0.38
AR P10275 1/20 0.38
HDAC3 O15379 1/20 0.38

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
SCHEMBL14744979 1.00 MYC (0.50) MYCTRPM5CYP11B1CYP11B2NOTUM
SCHEMBL14744980 1.00 MYC (0.50) MYCTRPM5CYP11B1CYP11B2NOTUM
SCHEMBL21872800 0.81 CYP11B1 (0.48) MYCTRPM5CYP11B1CYP11B2NOTUM
SCHEMBL30186040 0.81 ALDH1A1 (0.53) MYCTRPM5CYP11B1CYP11B2NOTUM
SCHEMBL1418463 0.81 ALDH1A1 (0.53) MYCTRPM5CYP11B1CYP11B2NOTUM
SCHEMBL3330747 0.76 CYP11B1 (0.51) CYP11B1CYP11B2NOTUMALDH1A1HTT
SCHEMBL2450374 0.75 ALDH1A1 (0.36) MYCTRPM5CYP11B1CYP11B2ALDH1A1
SCHEMBL2450372 0.75 ALDH1A1 (0.36) MYCTRPM5CYP11B1CYP11B2ALDH1A1
SCHEMBL5563987 0.75 RAB9A (0.58) ALDH1A1HTTHPGDLMNAMAPT
SCHEMBL5563991 0.75 RAB9A (0.58) ALDH1A1HTTHPGDLMNAMAPT

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-9409905-B2 Antibacterial compounds and methods for use PTC THERAPEUTICS, INC. (US) 2016-08-09 US disclosed
US-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2015-02-05 US 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-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE MRPL21, SLC11A2, CLPP MYC 1275/4885TRPM5 3296/4885CYP11B1 4544/4885

“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.