SCHEMBL6320485

SCHEMBL6320485

CC(=O)N(C)CC(=O)N(C)c1ccc(N/C(=C2\C(=O)Nc3ccccc32)c2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.40
KMT2A Q03164 3/20 0.40
RAB9A P51151 2/20 0.40
MEN1 O00255 2/20 0.40
IDO1 P14902 2/20 0.39
TDO2 P48775 1/20 0.39
POLB P06746 2/20 0.39
HTT P42858 1/20 0.37
ALDH1A1 P00352 3/20 0.36
KDR P35968 1/20 0.36
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
CASP6 P55212 1/20 0.34
MST1R Q04912 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
TSPO P30536 1/20 0.34

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
SCHEMBL6320749 1.00 NPC1 (0.40) NPC1KMT2ARAB9AMEN1IDO1
Hydrochloric Acid SCHEMBL6325525 0.90 IDO1 (0.41) NPC1KMT2ARAB9AMEN1IDO1
Hydrochloric Acid SCHEMBL6325522 0.90 IDO1 (0.41) NPC1KMT2ARAB9AMEN1IDO1
SCHEMBL6318593 0.90 IDO1 (0.40) NPC1KMT2ARAB9AMEN1IDO1
SCHEMBL6318595 0.90 IDO1 (0.40) NPC1KMT2ARAB9AMEN1IDO1
SCHEMBL6321563 0.89 ALDH1A1 (0.46) NPC1KMT2ARAB9AMEN1IDO1
SCHEMBL6321557 0.89 ALDH1A1 (0.46) NPC1KMT2ARAB9AMEN1IDO1
SCHEMBL6320512 0.89 IDO1 (0.42) NPC1KMT2ARAB9AMEN1IDO1
SCHEMBL6320507 0.89 IDO1 (0.42) NPC1KMT2ARAB9AMEN1IDO1
SCHEMBL6327047 0.87 IDO1 (0.41) NPC1KMT2ARAB9AMEN1IDO1

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-20050171185-A1 Indole derivatives FUJISAWA PHARMACEUTICAL CO., LTD., A JAPANESE CORPORATION 2005-08-04 US claimed
EP-1070705-A1 INDOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-01-24 EP claimed
US-20050171185-A1 Indole derivatives FUJISAWA PHARMACEUTICAL CO., LTD., A JAPANESE CORPORATION 2005-08-04 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
EP-1115704-A1 NOVEL SUBSTITUTED INDOLINONES WITH AN INHIBITORY EFFECT ON VARIOUS KINASES AND CYCLIN/CDK COMPLEXES Boehringer Ingelheim Pharma KG (DE) 2001-07-18 EP disclosed
EP-1070705-A1 INDOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-01-24 EP disclosed
WO-2000018734-A1 NOVEL SUBSTITUTED INDOLINONES WITH AN INHIBITORY EFFECT ON VARIOUS KINASES AND CYCLIN/CDK COMPLEXES BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-04-06 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-20050171185-A1 Indole derivatives PDE5A, IGFBP5, HTR5A NPC1 2934/4885KMT2A 1146/4885RAB9A 1122/4885

“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.