SCHEMBL427643

SCHEMBL427643

CC1(C)COCN1C(=O)n1cnc(-c2cccc(O)c2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.37
HSD17B2 P37059 2/20 0.37
PIK3CA P42336 7/20 0.36
FYN P06241 5/20 0.36
PIK3R1 P27986 3/20 0.35
TSHR P16473 3/20 0.34
NPC1 O15118 2/20 0.34
KDM4E B2RXH2 2/20 0.34
HSD17B10 Q99714 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TP53 P04637 1/20 0.34
NFKB1 P19838 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34

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
SCHEMBL427485 0.89 FAAH (0.38) TSHRKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL7898244 0.89 KMO (0.38) TSHRNPC1KDM4EHSD17B10ALDH1A1
SCHEMBL425743 0.89 FAAH (0.43) TSHRKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL427535 0.87 CNR2 (0.35) FYNTSHRNPC1KDM4EHSD17B10
SCHEMBL427956 0.86 TP53 (0.39) FYNTSHRNPC1KDM4EALDH1A1
SCHEMBL464499 0.85 NR4A2 (0.34) TSHRKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL427770 0.85 FYN (0.38) FYNPIK3R1
SCHEMBL427656 0.85 DPP4 (0.33) TSHRKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL425714 0.84 CYP2A6 (0.46) FYNHPGDCYP2C9
SCHEMBL425883 0.83 KDM1A (0.33) HSD17B1HSD17B2TSHRKDM4EHSD17B10

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-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 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-20120065191-A1 PHARMACEUTICAL COMPOUNDS FAAH, FAAH2, ASAH1 HSD17B1 555/4885HSD17B2 646/4885PIK3CA 1962/4885

“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.