SCHEMBL7104572

SCHEMBL7104572

Cc1[nH]cnc1C(=O)NN

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.54
L3MBTL1 Q9Y468 3/20 0.54
TDP1 Q9NUW8 3/20 0.54
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
GABRR1 P24046 1/20 0.47
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 1/20 0.42
HRH2 P25021 1/20 0.41
HRH1 P35367 1/20 0.41
HRH4 Q9H3N8 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
KDM4E B2RXH2 2/20 0.41
FDPS P14324 1/20 0.41
P2RX7 Q99572 2/20 0.41
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL15074569 0.84 SMN1; SMN2 (0.50) GAAL3MBTL1TDP1NPC1RAB9A
SCHEMBL17732600 0.79 SMN1; SMN2 (0.61) TDP1NPC1RAB9AGABRR1ALDH1A1
SCHEMBL19018643 0.79 GAA (0.51) GAAL3MBTL1TDP1NPC1ALDH1A1
SCHEMBL2588734 0.79
SCHEMBL4133844 0.79 NPC1 (0.42) GAAL3MBTL1TDP1NPC1RAB9A
SCHEMBL22787161 0.78 NPC1 (0.44) GAAL3MBTL1TDP1NPC1RAB9A
SCHEMBL28488524 0.78 GAA (0.68) GAAL3MBTL1TDP1ALDH1A1SMN1; SMN2
SCHEMBL266474 0.77
SCHEMBL2100653 0.77
SCHEMBL10552507 0.76 NPSR1 (0.46) L3MBTL1NPC1RAB9AGABRR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6747052-B2 ANTICANCER AGENTS CYTOVIA, INC. 2004-06-08 US disclosed
US-20030105140-A1 Substituted indole-2-carboxylic acid benzylidene-hydrazides and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. 2003-06-05 US disclosed
WO-2002102301-A2 SUBSTITUTED INDOLE-2-CARBOXYLIC ACID BENZYLIDENE-HYDRAZIDES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA, INC. (US) 2002-12-27 WO disclosed
US-20020128292-A1 Substituted indole-2-carboxylic acid benzylidene-hydrazides and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. 2002-09-12 US disclosed
EP-0713876-A1 Triazine derivative, chymase activity inhibitor and nitric oxide production inhibitor Wakamoto Pharmaceutical Co., Ltd. (JP) 1996-05-29 EP disclosed
US-4743586-A PREPARATION FROM A METHYLAMINE, 2-OXIME OF ETHYL 2,3-DIOXOBUTYRATE, HYDRAZINE, TRIETHOXYMETHANE AMERICAN CYANAMID COMPANY (US) 1988-05-10 US 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-20020128292-A1 Substituted indole-2-carboxylic acid benzylidene-hydrazides and analogs as activators of caspases and inducers of apoptosis and the use thereof BAD, API5, CASP2 GAA 3536/4885L3MBTL1 1507/4885TDP1 1563/4885
US-20030105140-A1 Substituted indole-2-carboxylic acid benzylidene-hydrazides and analogs as activators of caspases and inducers of apoptosis and the use thereof BAD, API5, CASP2 GAA 3536/4885L3MBTL1 1507/4885TDP1 1563/4885

“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.