SCHEMBL4111142

SCHEMBL4111142

CNC(=O)Cn1nc(Cl)c(Oc2cc(C)c(C#N)c(C)c2)c1C1CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.45
ALDH1A1 P00352 5/20 0.34
GLA P06280 1/20 0.34
KMT2A Q03164 4/20 0.33
KDM4E B2RXH2 4/20 0.33
MEN1 O00255 3/20 0.33
LMNA P02545 1/20 0.33
SCN9A Q15858 1/20 0.33
RAB9A P51151 1/20 0.32
AR P10275 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
HSD17B10 Q99714 4/20 0.31
TDP1 Q9NUW8 1/20 0.31
PKM P14618 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
MAPT P10636 2/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL4104566 0.90 PGR (0.46) PGRALDH1A1GLAKMT2AKDM4E
SCHEMBL4107682 0.89 PGR (0.46) PGRALDH1A1GLAKMT2AKDM4E
SCHEMBL4748737 0.88 PGR (0.44) PGRALDH1A1GLAKMT2AKDM4E
SCHEMBL4110642 0.85 PGR (0.41) PGRALDH1A1GLAKMT2AKDM4E
SCHEMBL4104626 0.82 PGR (0.42) PGRALDH1A1GLAKMT2AKDM4E
SCHEMBL4608195 0.81 PGR (0.42) PGRALDH1A1KMT2AKDM4EMEN1
SCHEMBL4751253 0.80 PGR (0.40) PGRALDH1A1GLAKMT2AKDM4E
SCHEMBL4100044 0.79 PGR (0.36) PGRALDH1A1KMT2AKDM4EMEN1
SCHEMBL4098285 0.78 PGR (0.48) PGRRAB9AARFFAR4
SCHEMBL4960690 0.78 PGR (0.35) PGRALDH1A1KMT2AKDM4EMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099209-A1 Compounds Useful in Therapy PFIZER INC 2009-04-16 US disclosed
US-7482375-B2 Compounds useful in therapy PFIZER INC. (US) 2009-01-27 US disclosed
US-20060241125-A1 Compounds useful in therapy BRADLEY PAUL A 2006-10-26 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 (2 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-20060241125-A1 Compounds useful in therapy CBR3, GPER1, CBR1 PGR 57/4885ALDH1A1 881/4885GLA 2651/4885
US-20090099209-A1 Compounds Useful in Therapy CBR3, CBR1, GPER1 PGR 87/4885ALDH1A1 974/4885GLA 2717/4885

“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.