SCHEMBL17484539

SCHEMBL17484539

Cc1ccc2c(c1)c1cc(C)ccc1n2CCC#N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.55
KDM4E B2RXH2 3/20 0.53
PGR P06401 1/20 0.43
RORA P35398 1/20 0.43
RORC P51449 1/20 0.43
RORB Q92753 1/20 0.43
LMNA P02545 4/20 0.41
HSD17B10 Q99714 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
POLB P06746 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MYLK Q15746 3/20 0.38
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 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
SCHEMBL11875980 0.92 KDM4E (0.61) RAB9AKDM4EPGRRORARORC
SCHEMBL17482004 0.91 RAB9A (0.70) RAB9AKDM4EPGRRORARORC
SCHEMBL7108173 0.84 RAB9A (0.55) RAB9AKDM4EPGRRORARORC
SCHEMBL16147498 0.79 RAB9A (0.72) RAB9AKDM4ELMNAHSD17B10KMT2A
SCHEMBL11872978 0.78 POLB (0.48) RAB9AKDM4ELMNAHSD17B10KMT2A
SCHEMBL13304767 0.77 RORA (0.55) KDM4EPGRRORARORCRORB
SCHEMBL3317829 0.77 HTR6 (0.69) ADRA2AHTR2AHTR2CHTR7ADRA1A
SCHEMBL12868533 0.75 HRH1 (0.43) RAB9AKDM4EHSD17B10KMT2AMEN1
SCHEMBL10127828 0.75 HTR6 (0.60) ADRA2AHTR2AHTR2CHTR7ADRA1A
SCHEMBL18257916 0.75 CTNNB1 (0.71) RAB9AKDM4ELMNAHSD17B10KMT2A

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-20160031814-A1 MODULATION OF K2P CHANNELS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-02-04 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-20160031814-A1 MODULATION OF K2P CHANNELS KCNJ2, KCNK2, KCNN3 RAB9A 1242/4885KDM4E 1102/4885PGR 3759/4885

“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.