SCHEMBL5757328

SCHEMBL5757328

O=C(NC1CCCC1)c1cccc2[nH]c(-c3cc[nH]n3)cc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 6/20 0.45
RAB9A P51151 6/20 0.45
ALDH1A1 P00352 4/20 0.43
GAA P10253 2/20 0.43
HTT P42858 2/20 0.43
APOBEC3G Q9HC16 1/20 0.43
LMNA P02545 3/20 0.42
KDM4E B2RXH2 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PKM P14618 1/20 0.42
POLB P06746 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
HPGD P15428 1/20 0.41
MAPT P10636 1/20 0.41
MLLT3 P42568 1/20 0.41
MLLT1 Q03111 1/20 0.41

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
SCHEMBL5752672 0.82 HDAC11 (0.41) SMN1; SMN2ALDH1A1HTTKDM4EMEN1
SCHEMBL5757017 0.82 HDAC11 (0.43) NPC1RAB9AALDH1A1GAALMNA
SCHEMBL25221906 0.79 HDAC11 (0.49) L3MBTL1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL5756543 0.79 HDAC11 (0.39) L3MBTL1SMN1; SMN2ALDH1A1GAAHTT
SCHEMBL5755838 0.79 BRAF (0.44) SMN1; SMN2NPC1RAB9AALDH1A1GAA
SCHEMBL5754686 0.79 KDR (0.43) LMNAKDM4EMAPT
SCHEMBL5755265 0.79 PBRM1 (0.40) L3MBTL1RAB9AALDH1A1GAAKDM4E
SCHEMBL5757543 0.78 KDM4E (0.46) SMN1; SMN2ALDH1A1GAALMNAKDM4E
SCHEMBL5756000 0.78 MEN1 (0.46) RAB9AALDH1A1HTTKDM4EMEN1
SCHEMBL5754568 0.78 ALDH1A1 (0.52) L3MBTL1SMN1; SMN2NPC1RAB9AALDH1A1

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
EP-1648884-A2 PYRAZOLYL-INDOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2006-04-26 EP disclosed
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
WO-2005005414-A2 PYRAZOLYL-INDOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA S.P.A. (IT) 2005-01-20 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-20050032869-A1 Pyrazolyl-indole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K9, MAP3K20, MAP3K19 L3MBTL1 3656/4885SMN1; SMN2 4414/4885NPC1 3439/4885

“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.