SCHEMBL4170954

SCHEMBL4170954

COc1cccc(CC(O)(C(=O)Nc2ccc(C#N)c(Cl)c2C)c2ccccc2)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.39
RAB9A P51151 1/20 0.39
CTSL P07711 1/20 0.39
NR3C2 P08235 1/20 0.38
KDM4E B2RXH2 5/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 1/20 0.37
CHEK1 O14757 1/20 0.37
CNR1 P21554 1/20 0.37
USP2 O75604 1/20 0.37
HIF1A Q16665 1/20 0.37
RXFP1 Q9HBX9 2/20 0.37
HPGD P15428 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36

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
SCHEMBL13909454 1.00 ABCB1 (0.39) ABCB1RAB9ACTSLNR3C2KDM4E
SCHEMBL4176199 0.90 MAPT (0.41) RAB9AKDM4EMEN1KMT2AALDH1A1
SCHEMBL13909450 0.90 MAPT (0.41) RAB9AKDM4EMEN1KMT2AALDH1A1
SCHEMBL13909448 0.89 KDM4E (0.42) CTSLNR3C2KDM4EMEN1KMT2A
SCHEMBL4168242 0.89 KDM4E (0.42) CTSLNR3C2KDM4EMEN1KMT2A
SCHEMBL4181415 0.88 PDK1 (0.41) NR3C2KDM4EALDH1A1HPGD
SCHEMBL13909445 0.88 PDK1 (0.41) NR3C2KDM4EALDH1A1HPGD
SCHEMBL4159577 0.84 ALDH1A1 (0.42) KDM4EMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL13909446 0.84 ALDH1A1 (0.42) KDM4EMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4180793 0.83 AR (0.48) KDM4EALDH1A1MAPTUSP2HIF1A

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-20090075989-A1 NON-STEROIDAL PROGESTERONE RECEPTOR MODULATORS BAYER SCHERING PHARMA AG (DE) 2009-03-19 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-20090075989-A1 NON-STEROIDAL PROGESTERONE RECEPTOR MODULATORS NR5A1, CYP19A1, GPER1 ABCB1 903/4885RAB9A 4606/4885CTSL 4514/4885

“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.