SCHEMBL6706995

SCHEMBL6706995

Cc1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cn1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.65
SMN1; SMN2 Q16637 2/20 0.60
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60
ALDH1A1 P00352 2/20 0.57
HPGD P15428 3/20 0.52
SORT1 Q99523 1/20 0.51
HTT P42858 1/20 0.51
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2C19 P33261 2/20 0.50
FLT1 P17948 1/20 0.50
FLT4 P35916 1/20 0.50
KDR P35968 1/20 0.50
P2RX1 P51575 1/20 0.50
CYP11B2 P19099 1/20 0.49
KDM1A O60341 1/20 0.48
RCOR1 Q9UKL0 1/20 0.48

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
SCHEMBL6706060 0.88 POLB (0.61) POLBSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL6708262 0.85 POLB (0.58) POLBSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL31665065 0.83 KDM4E (0.62) POLBSMN1; SMN2RAB9AALDH1A1HPGD
SCHEMBL30354889 0.78 SORT1 (0.53) POLBSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL31665319 0.78 KMT2A (0.66) SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL3606953 0.78 SMN1; SMN2 (0.60) POLBSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL3156502 0.78 POLB (0.82) POLBSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL15063035 0.77 KMT2A (0.48) POLBSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL30354817 0.76 MAPT (0.67) POLBSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL6713220 0.75 ALDH1A1 (0.61) POLBSMN1; SMN2NPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040235846-A1 Administering substituted nicotinamides and nicotinamide analogs for therapy of disorder responsive to the induction of apoptosis in an animal; anti-cancer agents CYTOVIA, INC. 2004-11-25 US claimed
US-20020010185-A1 Substituted nicotinamides and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. 2002-01-24 US claimed

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-20020010185-A1 Substituted nicotinamides and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP3, BAD, CASP12 POLB 2535/4885SMN1; SMN2 2117/4885NPC1 698/4885
US-20040235846-A1 Administering substituted nicotinamides and nicotinamide analogs for therapy of disorder responsive to the induction of apoptosis in an animal; anti-cancer agents NAMPT, BAD, NNT POLB 2857/4885SMN1; SMN2 988/4885NPC1 991/4885

“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.