SCHEMBL5754568

SCHEMBL5754568

O=C(NCC1CCCO1)c1cccc2[nH]c(-c3cc[nH]n3)cc12

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
NPC1 O15118 3/20 0.52
KDM4E B2RXH2 6/20 0.50
HPGD P15428 3/20 0.50
HSD17B10 Q99714 2/20 0.50
RAB9A P51151 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
MAPT P10636 1/20 0.48
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL5755142 0.80 KMT2A (0.54) ALDH1A1KDM4EHPGDHSD17B10RAB9A
SCHEMBL5757641 0.80 KMT2A (0.54) ALDH1A1NPC1KDM4EHPGDHSD17B10
SCHEMBL5754686 0.79 KDR (0.43) KDM4EMAPT
SCHEMBL5757328 0.78 L3MBTL1 (0.46) ALDH1A1NPC1KDM4EHPGDRAB9A
SCHEMBL6490263 0.76 HDAC11 (0.41) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL5757543 0.76 KDM4E (0.46) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL5756000 0.76 MEN1 (0.46) ALDH1A1KDM4EHPGDHSD17B10RAB9A
SCHEMBL5756899 0.76 KMT2A (0.41) ALDH1A1KDM4EHSD17B10MEN1KMT2A
SCHEMBL5756316 0.76 KDM4E (0.53) KDM4EHPGDMAPTMEN1KMT2A
SCHEMBL5752672 0.76 HDAC11 (0.41) ALDH1A1KDM4EHPGDMAPTMEN1

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 ALDH1A1 2469/4885NPC1 3439/4885KDM4E 765/4885

“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.