SCHEMBL8259771

SCHEMBL8259771

CC1=C(C#N)C(c2ccc(F)cc2Cl)C(C#N)=C(C)N1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 2/20 0.67
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
MAPT P10636 1/20 0.50
MET P08581 8/20 0.45
RPS6KA3 P51812 1/20 0.43
GAA P10253 1/20 0.43
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
HTR2C P28335 2/20 0.38
HTR2A P28223 1/20 0.38
SLC6A4 P31645 1/20 0.38
HTR2B P41595 1/20 0.38
IDO1 P14902 1/20 0.38
DRD5 P21918 1/20 0.37
HTR6 P50406 1/20 0.37

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
SCHEMBL8260704 0.84 NR3C2 (0.79) NR3C2ALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL3033766 0.82 KDM4E (0.56) NR3C2ALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL1398309 0.81 NR3C2 (0.52) NR3C2ALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL8260829 0.78 NR3C2 (0.74) NR3C2KDM4EMAPTGAA
SCHEMBL8255085 0.77 NR3C2 (0.65) NR3C2KDM4EHTR2CHTR2AHTR2B
SCHEMBL8259588 0.77 NR3C2 (0.62) NR3C2ALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL8260846 0.76 NR3C2 (0.61) NR3C2MAPTGAA
SCHEMBL8260821 0.75 NR3C2 (0.63) NR3C2GAA
SCHEMBL8252939 0.75 NR3C2 (0.63) NR3C2KDM4EGAAHTR2CHTR2A
SCHEMBL13236489 0.75 KDM4E (0.51) NR3C2ALDH1A1KDM4ESMN1; SMN2MAPT

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 2 patents. 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
WO-2006066011-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROIDAL RECEPTORS AND CALCIUM CHANNEL ACTIVITIES IRM LLC (BM) 2006-06-22 WO 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 3716/4885KDM4E 3960/4885

“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.