SCHEMBL6613602

SCHEMBL6613602

O=C1CCCc2[nH]cc(CCC(=O)N3CCNCC3)c21

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
KMT2A Q03164 4/20 0.42
GLA P06280 1/20 0.38
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
ALDH1A1 P00352 3/20 0.36
LMNA P02545 3/20 0.35
MEN1 O00255 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PARP1 P09874 3/20 0.34
PARP2 Q9UGN5 2/20 0.33
NPC1 O15118 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TPSAB1 Q15661 1/20 0.33
TPSD1 Q9BZJ3 1/20 0.33
TPSG1 Q9NRR2 1/20 0.33

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
SCHEMBL5413673 0.91 KMT2A (0.50) GAAKMT2AGLAALDH1A1LMNA
SCHEMBL6617381 0.87 KMT2A (0.41) GAAKMT2AGLAALDH1A1LMNA
SCHEMBL5410145 0.87 GLA (0.42) GAAKMT2AGLAALDH1A1LMNA
SCHEMBL3797505 0.79 GPR17 (0.40) GAALMNAKDM4ESMN1; SMN2PARP1
SCHEMBL7989412 0.78 MPO (0.39) GAALMNAKDM4ESMN1; SMN2NPC1
SCHEMBL6695442 0.76 GPR17 (0.40) GAALMNAKDM4ESMN1; SMN2PARP1
SCHEMBL6412628 0.74 PTK2 (0.35) GAAALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL6407392 0.72 ALDH1A1 (0.41) GAAKMT2AALDH1A1LMNAMEN1
SCHEMBL3802492 0.72 GAA (0.46) GAAKMT2AALDH1A1LMNAMEN1
SCHEMBL6409087 0.72 KMT2A (0.46) GAAKMT2AGLAALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040266855-A1 3-(4,5,6,7-tetrahydroindol-2-ylmethylidiene)-2-indolinone derivatives as kinase inhibitors SUGEN, INC. 2004-12-30 US disclosed
US-6777417-B2 ANTICANCER AGENTS SUGEN, INC. 2004-08-17 US disclosed
EP-1436259-A1 3-(4,5,6,7-TETRAHYDROINDOL-2-YLMETHYLIDIENE)-2-INDOLINONE DERIVATIVES AS KINASE INHIBITORS Liang, Congxin (US) 2004-07-14 EP disclosed
US-20030119819-A1 3-(4,5,6,7-Tetrahydroindol-2-ylmethylidiene-2-indolinone derivatives as kinase inhibitors SUGEN, INC. 2003-06-26 US disclosed
WO-2003022815-A1 3-(4,5,6,7-TETRAHYDROINDOL-2-YLMETHYLIDIENE)-2-INDOLINONE DERIVATIVES AS KINASE INHIBITORS SUGEN, INC. (US) 2003-03-20 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 (2 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-20040266855-A1 3-(4,5,6,7-tetrahydroindol-2-ylmethylidiene)-2-indolinone derivatives as kinase inhibitors SRC, LCK, MAP3K20 GAA 2494/4885KMT2A 2373/4885GLA 3732/4885
US-20030119819-A1 3-(4,5,6,7-Tetrahydroindol-2-ylmethylidiene-2-indolinone derivatives as kinase inhibitors SRC, LCK, MAP3K20 GAA 2819/4885KMT2A 2015/4885GLA 4099/4885

“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.