SCHEMBL5953848

SCHEMBL5953848

NNC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.78
POLB P06746 2/20 0.78
ALDH1A1 P00352 3/20 0.76
MEN1 O00255 2/20 0.76
KMT2A Q03164 2/20 0.76
GMNN O75496 1/20 0.76
TTR P02766 1/20 0.76
CYP1A2 P05177 1/20 0.76
CYP3A4 P08684 1/20 0.76
CYP2C9 P11712 1/20 0.76
PKM P14618 1/20 0.76
NFKB1 P19838 1/20 0.76
UGT1A1 P22309 1/20 0.76
PTGS1 P23219 1/20 0.76
PTGS2 P35354 1/20 0.76
PMP22 Q01453 1/20 0.76
DHODH Q02127 1/20 0.76
TEAD4 Q15561 1/20 0.76
HIF1A Q16665 1/20 0.76
GPR35 Q9HC97 1/20 0.76

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
SCHEMBL4204237 0.88 LMNA (0.79) LMNAPOLBALDH1A1MEN1KMT2A
SCHEMBL16752474 0.86 LMNA (0.72) LMNAPOLBALDH1A1MEN1KMT2A
SCHEMBL23388895 0.86 LMNA (0.58) LMNAPOLBALDH1A1MEN1KMT2A
SCHEMBL29968544 0.86 LMNA (0.58) LMNAPOLBALDH1A1MEN1KMT2A
Niflumic Acid SCHEMBL29364001 0.86 DHODH (1.00) LMNAPOLBALDH1A1MEN1KMT2A
Niflumic Acid SCHEMBL29373503 0.86 DHODH (1.00) LMNAPOLBALDH1A1MEN1KMT2A
Niflumic Acid SCHEMBL4886924 0.86 DHODH (1.00) LMNAPOLBALDH1A1MEN1KMT2A
Niflumic Acid SCHEMBL24706 0.86 DHODH (1.00) LMNAPOLBALDH1A1MEN1KMT2A
Niflumic Acid SCHEMBL10435526 0.85 LMNA (0.97) LMNAPOLBALDH1A1MEN1KMT2A
Niflumic Acid SCHEMBL8925125 0.85 DHODH (0.97) LMNAPOLBALDH1A1MEN1KMT2A

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-7074813-B2 Substituted N′-(arylcarbonyl)-benzhydrazides, N′-(arylcarbonyl)-benzylidene-hydrazides and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2006-07-11 US disclosed
US-20040186078-A1 Substituted N'-(arylcarbonyl)-benzhydrazides, N'-(arylcarbonyl)-benzylidene-hydrazides and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. 2004-09-23 US disclosed
US-6716859-B2 ANTICANCER AGENTS CYTOVIA, INC. 2004-04-06 US disclosed
US-20030013743-A1 Substituted N'-(arylcarbonyl)-benzhydrazides, N'-(arylcarbonyl)-benzylidene-hydrazides and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. 2003-01-16 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-20040186078-A1 Substituted N'-(arylcarbonyl)-benzhydrazides, N'-(arylcarbonyl)-benzylidene-hydrazides and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP2, CASP1, BCL2 LMNA 809/4885POLB 3590/4885ALDH1A1 140/4885
US-20030013743-A1 Substituted N'-(arylcarbonyl)-benzhydrazides, N'-(arylcarbonyl)-benzylidene-hydrazides and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP2, CASP1, BCL2 LMNA 809/4885POLB 3590/4885ALDH1A1 140/4885

“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.