SCHEMBL6324724

SCHEMBL6324724

COCC(=O)NCc1ccc(N/C(=C2\C(=O)Nc3ccccc32)c2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.42
HPGD P15428 4/20 0.40
MAPT P10636 3/20 0.40
HTT P42858 2/20 0.40
ALOX12 P18054 1/20 0.40
MAPK1 P28482 1/20 0.40
IDO1 P14902 2/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
TDO2 P48775 1/20 0.40
PTPN1 P18031 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CASP3 P42574 1/20 0.38
DRD2 P14416 1/20 0.38
AKT1 P31749 1/20 0.38

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
SCHEMBL6324728 1.00 L3MBTL1 (0.42) L3MBTL1HPGDMAPTHTTALOX12
SCHEMBL6326013 0.90 HPGD (0.51) HPGDMAPTHTTALOX12MAPK1
SCHEMBL6326011 0.90 HPGD (0.51) HPGDMAPTHTTALOX12MAPK1
SCHEMBL6328129 0.87 PTPN1 (0.49) L3MBTL1HPGDMAPTIDO1NPC1
SCHEMBL6328124 0.87 PTPN1 (0.49) L3MBTL1HPGDMAPTIDO1NPC1
SCHEMBL6319510 0.86 PTPN1 (0.40) HPGDMAPTIDO1NPC1RAB9A
SCHEMBL6320268 0.86 PTPN1 (0.40) HPGDMAPTIDO1NPC1RAB9A
SCHEMBL6320563 0.86 CASP3 (0.46) HTTPTPN1ALDH1A1MEN1KMT2A
SCHEMBL6320557 0.86 CASP3 (0.46) HTTPTPN1ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL6327305 0.86 AKT2 (0.45) L3MBTL1HPGDMAPTIDO1NPC1

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-6855710-B2 Substituted indolines with an inhibitory effect on various kinases and complexes of CDKs BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-02-15 US disclosed
US-20040058978-A1 Novel substituted indolines with an inhibitory effect on various kinases and complexes of CDKs BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-03-25 US disclosed
EP-1115704-B1 NOVEL SUBSTITUTED INDOLINONES WITH AN INHIBITORY EFFECT ON VARIOUS KINASES AND CYCLIN/CDK COMPLEXES BOEHRINGER INGELHEIM PHARMA (DE) 2003-06-18 EP 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-20040058978-A1 Novel substituted indolines with an inhibitory effect on various kinases and complexes of CDKs CDK1, CDK2, CDK3 L3MBTL1 3701/4885HPGD 1930/4885MAPT 3817/4885

“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.