SCHEMBL4176199

SCHEMBL4176199

COc1ccc(CC(O)(C(=O)Nc2ccc(C#N)c(Cl)c2C)c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
ADRB2 P07550 2/20 0.39
CYP2D6 P10635 2/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
CASR P41180 2/20 0.39
SLC6A3 Q01959 2/20 0.39
KCNH2 Q12809 2/20 0.39
ADRB3 P13945 1/20 0.39
MMP1 P03956 3/20 0.39
MMP13 P45452 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 5/20 0.38
MMP9 P14780 2/20 0.37
MEN1 O00255 4/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 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
SCHEMBL13909450 1.00 MAPT (0.41) MAPTADRB2CYP2D6SLC6A2SLC6A4
SCHEMBL4181415 0.91 PDK1 (0.41) ALDH1A1LMNAPDK1PDK2PDK3
SCHEMBL13909445 0.91 PDK1 (0.41) ALDH1A1LMNAPDK1PDK2PDK3
SCHEMBL13909446 0.90 ALDH1A1 (0.42) CYP2D6SMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL4159577 0.90 ALDH1A1 (0.42) CYP2D6SMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL4170954 0.90 ABCB1 (0.39) MAPTADRB3SMN1; SMN2ALDH1A1KMT2A
SCHEMBL13909454 0.90 ABCB1 (0.39) MAPTADRB3SMN1; SMN2ALDH1A1KMT2A
SCHEMBL13909448 0.83 KDM4E (0.42) ALDH1A1LMNAKMT2AMEN1PDK1
SCHEMBL4168242 0.83 KDM4E (0.42) ALDH1A1LMNAKMT2AMEN1PDK1
SCHEMBL4168220 0.82 AR (0.50) MAPTLMNAHTTKDM4E

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-20090075989-A1 NON-STEROIDAL PROGESTERONE RECEPTOR MODULATORS BAYER SCHERING PHARMA AG (DE) 2009-03-19 US disclosed
WO-2008077646-A1 NON-STEROIDAL PROGESTERONE RECEPTOR MODULATORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-07-03 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-20090075989-A1 NON-STEROIDAL PROGESTERONE RECEPTOR MODULATORS NR5A1, CYP19A1, GPER1 MAPT 4871/4885ADRB2 725/4885CYP2D6 197/4885

“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.