SCHEMBL13488142

SCHEMBL13488142

BN/C(=C\c1c(C)cc(C(N)=O)cc1C)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 2/20 0.34
PKMYT1 Q99640 1/20 0.34
DHODH Q02127 4/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PARP1 P09874 2/20 0.32
PARP15 Q460N3 1/20 0.31
PARP10 Q53GL7 1/20 0.31
ALDH1A1 P00352 1/20 0.31
BRD4 O60885 1/20 0.31
BRD9 Q9H8M2 1/20 0.31
NNMT P40261 2/20 0.30

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
SCHEMBL12975517 0.85 RAF1 (0.33) RAF1PKMYT1SMN1; SMN2PARP1PARP15
SCHEMBL13316834 0.78 RAF1 (0.38) RAF1PKMYT1DHODHSMN1; SMN2PARP1
SCHEMBL13316874 0.75 RAF1 (0.39) RAF1PKMYT1SMN1; SMN2PARP1PARP15
SCHEMBL3208908 0.74 RAF1 (0.41) RAF1PKMYT1SMN1; SMN2PARP1PARP10
SCHEMBL12971769 0.70 RAF1 (0.31) RAF1PKMYT1
SCHEMBL18471225 0.69 SMN1; SMN2 (0.49) DHODHSMN1; SMN2PARP1PARP10ALDH1A1
SCHEMBL13316852 0.69 NFKB1 (0.36) RAF1PKMYT1SMN1; SMN2ALDH1A1
SCHEMBL13488028 0.69 BRD4 (0.36) SMN1; SMN2ALDH1A1BRD4
SCHEMBL1505384 0.67 KDM4E (0.35) RAF1SMN1; SMN2ALDH1A1
SCHEMBL1505381 0.67 KDM4E (0.35) RAF1SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100036132-A1 PROCESS FOR THE PREPARATION OF OPIOD MODULATORS CAI CHAOZHONG 2010-02-11 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-20100036132-A1 PROCESS FOR THE PREPARATION OF OPIOD MODULATORS OPRM1, OPRL1, OPRK1 RAF1 4286/4885PKMYT1 1664/4885DHODH 443/4885

“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.