SCHEMBL5413673

SCHEMBL5413673

O=C1CCCc2[nH]cc(CCC(=O)N3CCCC3)c21

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 3/20 0.43
NPC1 O15118 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GLA P06280 1/20 0.40
NAAA Q02083 1/20 0.38
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ATM Q13315 1/20 0.37
AURKA O14965 1/20 0.36
AURKB Q96GD4 1/20 0.36

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
SCHEMBL6613602 0.91 GAA (0.43) KMT2AALDH1A1NPC1TDP1GLA
SCHEMBL6617381 0.90 KMT2A (0.41) KMT2AALDH1A1NPC1TDP1GLA
SCHEMBL5410145 0.90 GLA (0.42) KMT2AALDH1A1GLALMNAKDM4E
SCHEMBL3797505 0.82 GPR17 (0.40) NPC1LMNAKDM4EGAASMN1; SMN2
SCHEMBL7989412 0.81 MPO (0.39) NPC1LMNAKDM4EGAASMN1; SMN2
SCHEMBL6409087 0.80 KMT2A (0.46) KMT2AALDH1A1NPC1TDP1GLA
SCHEMBL6695442 0.79 GPR17 (0.40) NPC1LMNAKDM4EGAASMN1; SMN2
SCHEMBL6412628 0.77 PTK2 (0.35) ALDH1A1NPC1LMNAGAAMAPT
SCHEMBL3802492 0.75 GAA (0.46) KMT2AALDH1A1NPC1TDP1LMNA
SCHEMBL6407392 0.75 ALDH1A1 (0.41) KMT2AALDH1A1NPC1LMNAMEN1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7157577-B2 5-sulfonamido-substituted indolinone compounds as protein kinase inhibitors SUGEN INC. (US) 2007-01-02 US disclosed
US-6855730-B2 3-methylidenyl-2-indolinone modulators of protein kinase SUGEN, INC. (US) 2005-02-15 US disclosed
US-20040266843-A1 Sulfonamide substituted indolinones as inhibitors of DNA dependent protein kinase (DNA-PK) SUGEN, INC. 2004-12-30 US disclosed
US-20040204407-A1 5-sulfonamido-substituted indolinone compounds as protein kinase inhibitors SUGEN INC. 2004-10-14 US disclosed
US-20040024010-A1 3-methylidenyl-2-indolinone modulators of protein kinase SUGEN, INC. 2004-02-05 US disclosed
US-6531502-B1 Antitumor SUGEN, INC. 2003-03-11 US disclosed
WO-2000008202-A2 3-METHYLIDENYL-2-INDOLINONE MODULATORS OF PROTEIN KINASE SUGEN, INC. (US) 2000-02-17 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 (3 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-20040204407-A1 5-sulfonamido-substituted indolinone compounds as protein kinase inhibitors DMPK, MAP3K20, PHKG1 KMT2A 2029/4885ALDH1A1 3457/4885NPC1 2234/4885
US-20040024010-A1 3-methylidenyl-2-indolinone modulators of protein kinase DMPK, MAP4K3, MAP3K20 KMT2A 1170/4885ALDH1A1 2196/4885NPC1 3867/4885
US-20040266843-A1 Sulfonamide substituted indolinones as inhibitors of DNA dependent protein kinase (DNA-PK) CHEK2, CHEK1, ATM KMT2A 991/4885ALDH1A1 2442/4885NPC1 4506/4885

“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.