SCHEMBL20992124

SCHEMBL20992124

CCCC(=O)c1cn[nH]c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 1/20 0.46
HPGD P15428 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 4/20 0.40
STS P08842 1/20 0.40
NOS2 P35228 1/20 0.38
ACACB O00763 2/20 0.37
HTT P42858 1/20 0.37
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
RECQL P46063 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KCNH2 Q12809 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
SCHEMBL8402539 0.84
SCHEMBL11393783 0.76
SCHEMBL10765080 0.76
SCHEMBL23480570 0.76 TDP1 (0.51) L3MBTL1ALDH1A1NOS2ACACBHTT
SCHEMBL20797184 0.74 ALDH1A1 (0.38) HPGDSMN1; SMN2ALDH1A1NOS2ACACB
SCHEMBL19100018 0.74 LMNA (0.53) HPGDSMN1; SMN2L3MBTL1ALDH1A1STS
SCHEMBL6639419 0.74 NAMPT (0.46) HPGDSMN1; SMN2L3MBTL1ALDH1A1ACACB
SCHEMBL369224 0.73 NAMPT (0.51) HPGDALDH1A1HTTTSHRRECQL
SCHEMBL5178020 0.73 NOS2 (0.38) ALDH1A1NOS2ACACBHTT
SCHEMBL1608977 0.73 ROCK2 (0.47) ACACB

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-10287301-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2019-05-14 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-10287301-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders CFD, F12, F3 HSD17B3 238/4885HPGD 380/4885SMN1; SMN2 2468/4885

“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.