SCHEMBL6490316

SCHEMBL6490316

O=C(Nc1ccccc1CO)c1cccc2[nH]c(-c3cc[nH]n3)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NHERF1 O14745 2/20 0.47
CFTR P13569 2/20 0.40
SLC16A3 O15427 2/20 0.39
MEN1 O00255 1/20 0.39
GFER P55789 1/20 0.39
KMT2A Q03164 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
HDAC11 Q96DB2 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
BRAF P15056 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
AR P10275 1/20 0.35
AKR1C3 P42330 1/20 0.35

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
SCHEMBL5755838 0.83 BRAF (0.44) CFTRMEN1KMT2AHDAC11CHRNB2
SCHEMBL5756316 0.80 KDM4E (0.53) MEN1KMT2ARXFP1CHRNB2CHRNB4
SCHEMBL6489406 0.80 NHERF1 (0.50) NHERF1SLC16A3MEN1KMT2AMAPT
SCHEMBL6488486 0.80 ITK (0.48) NHERF1SLC16A3MAPTTP53
SCHEMBL5757017 0.79 HDAC11 (0.43) HDAC11ALDH1A1MAPTTP53KDM4E
SCHEMBL5754686 0.78 KDR (0.43) HDAC11MAPTKDM4E
SCHEMBL5756000 0.78 MEN1 (0.46) MEN1KMT2AHDAC11ALDH1A1MAPT
SCHEMBL6490354 0.77 ALDH1A1 (0.44) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL5752672 0.77 HDAC11 (0.41) MEN1KMT2AHDAC11ALDH1A1MAPT
SCHEMBL6488444 0.77 HDAC1 (0.44) MEN1KMT2AHDAC11ALDH1A1KDM4E

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-20050032869-A1 Pyrazolyl-indole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PHARMACIA ITALIA S.P.A. (IT) 2005-02-10 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-20050032869-A1 Pyrazolyl-indole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K9, MAP3K20, MAP3K19 NHERF1 3673/4885CFTR 3166/4885SLC16A3 4882/4885

“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.