SCHEMBL11835656

SCHEMBL11835656

N#Cc1cc(C#N)c(O)c(C=O)c1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 10/20 0.41
TTR P02766 2/20 0.41
ALB P02768 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
VCAM1 P19320 1/20 0.34
PIM1 P11309 1/20 0.34
PTPN11 Q06124 1/20 0.33

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
SCHEMBL411743 0.79 ERN1 (0.58) ERN1
SCHEMBL412862 0.79 TTR (0.64) ERN1TTRALBMEN1KMT2A
SCHEMBL28439300 0.79 ERN1 (0.40) ERN1TTRALBMEN1KMT2A
SCHEMBL3679283 0.79 TTR (0.54) TTRALBMEN1KMT2AVCAM1
SCHEMBL17323197 0.77 ERN1 (0.41) ERN1MEN1KMT2APIM1
SCHEMBL24190768 0.75 ERN1 (0.60) ERN1
SCHEMBL17348537 0.73 FASN (0.35) ERN1TTRALBMEN1KMT2A
SCHEMBL6898133 0.73 VCAM1 (0.40) TTRALBMEN1KMT2AVCAM1
SCHEMBL7366982 0.73 TTR (0.48) TTRALBMEN1KMT2AVCAM1
SCHEMBL7195384 0.72 RAD51 (0.40) VCAM1

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-9580379-B2 Xanthine oxidase inhibitors and methods of use BAYLOR COLLEGE OF MEDICINE (US) 2017-02-28 US disclosed
WO-2015191635-A2 XANTHINE OXIDASE INHIBITORS AND METHODS OF USE BAYLOR COLLEGE OF MEDICINE (US) 2015-12-17 WO disclosed
US-20150353471-A1 XANTHINE OXIDASE INHIBITORS AND METHODS OF USE BAYLOR COLLEGE OF MEDICINE 2015-12-10 US disclosed
US-3941776-A RACEMIZATION OF AMINOLACTAM COMPOUNDS ALLIED CHEMICAL CORPORATION (US) 1976-03-02 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-20150353471-A1 XANTHINE OXIDASE INHIBITORS AND METHODS OF USE XDH, PNPO, AOX1 ERN1 1631/4885TTR 2345/4885ALB 4201/4885

“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.