SCHEMBL13587728

SCHEMBL13587728

CCCC1=C(C(=O)OCC)C(c2cccnc2OC)C(C#N)=C(SC)N1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.54
ALDH1A1 P00352 4/20 0.49
TSHR P16473 2/20 0.45
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
HIF1A Q16665 1/20 0.43
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
ALOX15 P16050 1/20 0.42
CASP1 P29466 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL13587774 0.89 NR3C2 (0.55) NR3C2ALDH1A1TSHRKDM4EMAPT
SCHEMBL3050505 0.83 ALDH1A1 (0.61) NR3C2ALDH1A1TSHRKDM4EMAPT
SCHEMBL8257346 0.83 NR3C2 (0.58) NR3C2
SCHEMBL13587764 0.79 NR3C2 (0.70) NR3C2
SCHEMBL13587780 0.69 NR3C2 (0.57) NR3C2KDM4E
SCHEMBL8259559 0.68 ALDH1A1 (0.48) NR3C2ALDH1A1TSHRKDM4EMAPT
SCHEMBL13587761 0.67 ALDH1A1 (0.47) NR3C2ALDH1A1TSHRKDM4EMAPT
SCHEMBL13587735 0.66 NR3C2 (0.60) NR3C2
SCHEMBL8261070 0.66 NR3C2 (0.57) NR3C2
SCHEMBL6292436 0.66 NR3C2 (0.45) NR3C2ALDH1A1TSHRKDM4EMEN1

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-20090298872-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROIDAL RECEPTORS AND CALCIUM CHANNEL ACTIVITIES IRM LLC (BM) 2009-12-03 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-20090298872-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROIDAL RECEPTORS AND CALCIUM CHANNEL ACTIVITIES TRPV1, TRPV2, TRPV6 NR3C2 12/4885ALDH1A1 3716/4885TSHR 754/4885

“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.