SCHEMBL21134429

SCHEMBL21134429

C=C(C)C(=O)N1CCC(C(=O)NCCCCCCNC(=O)C2CCN(C(=O)C(C)C)C2)C1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.43
NAAA Q02083 1/20 0.40
ITGB3 P05106 10/20 0.39
ITGA2B P08514 10/20 0.39
GNAI3 P08754 2/20 0.39
GNAO1 P09471 2/20 0.39
GNAI1 P63096 2/20 0.39
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
F2R P25116 1/20 0.35
KDM5A P29375 1/20 0.35

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
SCHEMBL18239228 0.91 NAAA (0.47) HSD17B10NAAAITGB3ITGA2BGNAI3
SCHEMBL18239264 0.83 GNAI3 (0.49) HSD17B10NAAAGNAI3GNAO1GNAI1
SCHEMBL18239218 0.83 GNAI3 (0.49) HSD17B10NAAAGNAI3GNAO1GNAI1
SCHEMBL24654167 0.73 HSD17B10 (0.57) HSD17B10NAAAITGB3ITGA2BALDH1A1
SCHEMBL24654069 0.71 NAAA (0.59) HSD17B10NAAAGNAI3GNAO1GNAI1
SCHEMBL25514716 0.70 KMT2A (0.59) ALDH1A1TSHRGAASMN1; SMN2
SCHEMBL22160653 0.70 NAAA (0.61) NAAAGNAI3GNAO1GNAI1GAA
SCHEMBL22160533 0.70 NAAA (0.61) NAAAGNAI3GNAO1GNAI1GAA
SCHEMBL22160676 0.70 NAAA (0.61) NAAAGNAI3GNAO1GNAI1GAA
SCHEMBL22160679 0.70 NAAA (0.61) NAAAGNAI3GNAO1GNAI1GAA

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-10342745-B2 Methacrylamide compounds OREGON HEALTH & SCIENCE UNIVERSITY 2019-07-09 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-10342745-B2 Methacrylamide compounds MAT2B, BHMT2, MMAB HSD17B10 3594/4885NAAA 1494/4885ITGB3 147/4885

“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.