SCHEMBL6464844

SCHEMBL6464844

Cc1[nH]cc(-c2ccc(C#N)cc2)c1C(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.46
RAB9A P51151 4/20 0.45
KMT2A Q03164 3/20 0.45
NPC1 O15118 2/20 0.45
AR P10275 1/20 0.44
MAPK1 P28482 1/20 0.43
PRKCZ Q05513 1/20 0.41
MAOB P27338 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
MAPT P10636 1/20 0.40
STAT1 P42224 1/20 0.40
POLB P06746 1/20 0.40
ATM Q13315 1/20 0.40
TSHR P16473 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL11169340 0.88 HTT (0.68) HTTSMN1; SMN2RAB9AKMT2ANPC1
SCHEMBL31619951 0.85 HTT (0.56) HTTSMN1; SMN2RAB9AKMT2ANPC1
SCHEMBL5354675 0.82 AR (0.47) HTTSMN1; SMN2RAB9AKMT2ANPC1
SCHEMBL5359751 0.81 LMNA (0.52) HTTSMN1; SMN2RAB9AKMT2ANPC1
SCHEMBL6464873 0.80 HTT (0.68) HTTSMN1; SMN2KMT2AARMAPK1
SCHEMBL5361928 0.80 AR (0.49) HTTSMN1; SMN2RAB9AKMT2ANPC1
SCHEMBL5370251 0.79 HTT (0.49) HTTAR
SCHEMBL5360596 0.78 AR (0.47) HTTSMN1; SMN2RAB9AKMT2ANPC1
SCHEMBL4921544 0.78 RAB9A (0.46) HTTSMN1; SMN2RAB9AKMT2ANPC1
SCHEMBL4919275 0.77 HTT (0.49) HTTSMN1; SMN2KMT2APOLBALDH1A1

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-20050101657-A1 Pyrrole derivatives for preventing or treating cancer sensitive to hormones; administered with luteininzing hormone releasing hormone derivative TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2005-05-12 US disclosed
EP-1466902-A1 ANDROGEN RECEPTOR ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 2004-10-13 EP 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-20050101657-A1 Pyrrole derivatives for preventing or treating cancer sensitive to hormones; administered with luteininzing hormone releasing hormone derivative SHBG, PRLHR, FSHR HTT 3428/4885SMN1; SMN2 4604/4885RAB9A 3078/4885

“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.