SCHEMBL6578619

SCHEMBL6578619

COC(=O)c1ccc(C#N)cc1.COC(=O)c1cccc(C#N)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.55
CYP11B2 P19099 2/20 0.55
MRGPRX4 Q96LA9 1/20 0.55
PLAU P00749 1/20 0.55
GSK3B P49841 2/20 0.50
TSHR P16473 1/20 0.50
NAMPT P43490 1/20 0.50
RAB9A P51151 3/20 0.48
POLB P06746 2/20 0.48
NPC1 O15118 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
BLM P54132 1/20 0.48
MAPT P10636 3/20 0.48
MEN1 O00255 2/20 0.48
ALDH1A1 P00352 2/20 0.48
KMT2A Q03164 2/20 0.48
GRM5 P41594 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
TP53 P04637 1/20 0.47
PKM P14618 1/20 0.47

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
SCHEMBL30444713 0.94 MRGPRX4 (0.56) CYP11B1CYP11B2MRGPRX4PLAUGSK3B
SCHEMBL60040 0.94 MRGPRX4 (0.56) CYP11B1CYP11B2MRGPRX4PLAUGSK3B
SCHEMBL3456924 0.93 MRGPRX4 (0.52) CYP11B1CYP11B2MRGPRX4PLAUGSK3B
SCHEMBL6831985 0.88 CYP11B1 (0.52) CYP11B1CYP11B2MRGPRX4PLAUGSK3B
SCHEMBL7393 0.87 CA1 (0.57) GSK3BTSHRNAMPTPOLBMAPT
Charcoal, Activated SCHEMBL31430427 0.85 CA1 (0.55) GSK3BTSHRNAMPTPOLBMAPT
SCHEMBL7822720 0.84 PLAU (0.61) CYP11B1CYP11B2MRGPRX4PLAUGSK3B
SCHEMBL6659038 0.83 PLAU (0.60) PLAUNAMPT
SCHEMBL7825418 0.83 PLAU (0.67) CYP11B1CYP11B2MRGPRX4PLAU
SCHEMBL7069395 0.83 TSHR (0.61) CYP11B1CYP11B2TSHRNAMPTRAB9A

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-20040097555-A1 Concomitant drugs TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-05-20 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-20040097555-A1 Concomitant drugs TNF, CHUK, CNKSR1 CYP11B1 455/4885CYP11B2 343/4885MRGPRX4 911/4885

“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.