SCHEMBL13447136

SCHEMBL13447136

CN(C)/C=C1\CC(C(C)(C)C)CCC1=O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ ALDH1A1 P00352 4/20 0.32
▸ MAPT P10636 4/20 0.32
▸ NPSR1 Q6W5P4 3/20 0.32
▸ MEN1 O00255 3/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ ALOX12 P18054 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ MAP1LC3B Q9GZQ8 4/20 0.32
▸ NPC1 O15118 2/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ HSP90AA1 P07900 1/20 0.31
▸ XBP1 P17861 1/20 0.31
▸ MAPK1 P28482 1/20 0.31

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
SCHEMBL22699174 0.79 ALDH1A1 (0.35) HPGDTP53HSD17B10ALDH1A1MAPT
SCHEMBL11258552 0.79 ALDH1A1 (0.35) HPGDTP53HSD17B10ALDH1A1MAPT
SCHEMBL9390487 0.79 ALDH1A1 (0.35) HPGDTP53HSD17B10ALDH1A1MAPT
SCHEMBL12340400 0.75 MAP1LC3B (0.33) HPGDHSD17B10MAPTMEN1KMT2A
SCHEMBL3528042 0.75 MAP1LC3B (0.33) HSD17B10MAPTMEN1KMT2AKDM4E
SCHEMBL12315718 0.72 MAP1LC3B (0.32) MAP1LC3B
SCHEMBL14000524 0.72 HRH3 (0.33) MAPTNPSR1MAPK1
SCHEMBL14033996 0.71 MAPT (0.41) HPGDTP53HSD17B10ALDH1A1MAPT
SCHEMBL3528039 0.70 MAP1LC3B (0.30) MAP1LC3B
SCHEMBL23397332 0.69 ALDH1A1 (0.33) ALDH1A1KMT2A

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
US-20100068181-A1 PYRROLO [3, 2-A] PYRIDINE DERIVATIVES FOR INHIBITING KSP KINESIN ACTIVITY SCHERING CORPORATION 2010-03-18 — — US disclosed
US-20100068181-A1 PYRROLO [3, 2-A] PYRIDINE DERIVATIVES FOR INHIBITING KSP KINESIN ACTIVITY SCHERING CORPORATION 2010-03-18 — — US disclosed
WO-2008079293-A1 PYRROLO [3, 2-A] PYRIDINE DERIVATIVES FOR INHIBITING KSP KINESIN ACTIVITY SCHERING CORPORATION (US) 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-20100068181-A1 PYRROLO [3, 2-A] PYRIDINE DERIVATIVES FOR INHIBITING KSP KINESIN ACTIVITY KIF2C, KIFC1, KIF18B HPGD 3293/4885TP53 700/4885HSD17B10 2464/4885

“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.

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