SCHEMBL10191034

SCHEMBL10191034

CCn1c(-c2ccc(C#Cc3ccc(Cl)cc3)cc2)c(C#N)c2ccc(O)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.39
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
CYP11B2 P19099 3/20 0.37
CYP11B1 P15538 2/20 0.37
MAOA P21397 1/20 0.37
PIM1 P11309 1/20 0.35
PDE5A O76074 1/20 0.35
ESR2 Q92731 1/20 0.34
CYP19A1 P11511 1/20 0.34
MMP3 P08254 1/20 0.33
SRC P12931 1/20 0.33

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
SCHEMBL10097250 0.94 KDM4E (0.41) ESR1KMT2AKDM4EMEN1ALDH1A1
SCHEMBL10191023 0.90 ALDH1A1 (0.43) ESR1KMT2AKDM4EMEN1ALDH1A1
SCHEMBL10191026 0.87 GRIK2 (0.47) ESR1KMT2AKDM4EMEN1ALDH1A1
SCHEMBL10095401 0.86 HTT (0.39) ESR1KMT2AKDM4EMEN1ALDH1A1
SCHEMBL10191022 0.86 KIF11 (0.40) ESR1KMT2AKDM4EMEN1ALDH1A1
SCHEMBL10249418 0.84 PDE5A (0.36) ESR1KDM4EALDH1A1LMNAMAPT
SCHEMBL10191021 0.83 KDM4E (0.38) ESR1KMT2AKDM4EMEN1ALDH1A1
SCHEMBL2881906 0.82 KDM4E (0.41) ESR1KMT2AKDM4EMEN1ALDH1A1
SCHEMBL10097251 0.82 ALDH1A1 (0.49) ESR1KMT2AKDM4EMEN1ALDH1A1
SCHEMBL10097258 0.81 GRIK2 (0.52) ESR1KMT2AKDM4EMEN1ALDH1A1

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-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 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-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS ESR1 4618/4885KMT2A 3974/4885KDM4E 3703/4885

“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.