SCHEMBL6401673

SCHEMBL6401673

NN1CN(c2ccccc2)CCC1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
ADRB1 P08588 1/20 0.38
HTR3A P46098 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
LMNA P02545 1/20 0.38
ALOX15 P16050 2/20 0.38
HSD17B10 Q99714 2/20 0.38
ALOX5 P09917 2/20 0.38
G6PD P11413 1/20 0.38
ALOX12 P18054 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 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
SCHEMBL6405403 0.81 CTSG (0.39) MEN1KMT2ANPC1RAB9AHTR3E
SCHEMBL6362006 0.79 NPC1 (0.50) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL6363233 0.78 SRD5A1 (0.41) MEN1KMT2ANPC1RAB9AHTR3E
SCHEMBL532107 0.71 LMNA (0.52) MEN1KMT2ANPC1RAB9AHTR3E
SCHEMBL1006036 0.70 LMNA (0.54) MEN1KMT2ARAB9AHTR3EHTR3B
SCHEMBL1953072 0.68 MEN1 (0.45) MEN1KMT2ANPC1RAB9AHTR3E
Ethylene SCHEMBL3717036 0.68 LMNA (0.48) MEN1KMT2ANPC1RAB9AHTR3E
Hydrochloric Acid SCHEMBL14334304 0.68 LMNA (0.52) MEN1KMT2ARAB9AHTR3EHTR3B
Bromide SCHEMBL19272502 0.68 LMNA (0.52) MEN1KMT2ARAB9AHTR3EHTR3B
SCHEMBL136822 0.67 NPC1 (0.60) MEN1KMT2ANPC1RAB9AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050054696-A1 Indole compounds and medicinal use thereof JAPAN TOBACCO INC. (JP) 2005-03-10 US claimed
EP-1452526-A1 INDOLE COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2004-09-01 EP claimed
US-20050054696-A1 Indole compounds and medicinal use thereof JAPAN TOBACCO INC. (JP) 2005-03-10 US disclosed
EP-1452526-A1 INDOLE COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2004-09-01 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-20050054696-A1 Indole compounds and medicinal use thereof IDO1, GPR119, SLC5A1 MEN1 1510/4885KMT2A 673/4885NPC1 706/4885

“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.