SCHEMBL5451049

SCHEMBL5451049

O=C1OC(=O)c2nc(-c3ccccc3Cl)c(-c3ccccc3Cl)nc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
C1R P00736 1/20 0.44
NOTUM Q6P988 1/20 0.43
ELANE P08246 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GLA P06280 1/20 0.42
MAOB P27338 1/20 0.42
CNR1 P21554 2/20 0.42
KMT2A Q03164 2/20 0.41
HSD17B10 Q99714 1/20 0.41
GUSB P08236 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 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
SCHEMBL6545475 0.75 KDM4E (0.44) TDP1NPC1TP53HPGDRAB9A
SCHEMBL10373895 0.70 MEN1 (0.50) ALOX15TDP1NPC1TP53HPGD
SCHEMBL21543448 0.70 ELANE (0.41) ALOX15TDP1TP53SMN1; SMN2C1R
SCHEMBL31745288 0.70 ELANE (0.41) ALOX15TDP1TP53SMN1; SMN2C1R
SCHEMBL4680971 0.69 KDM4E (0.52) NPC1RAB9ASMN1; SMN2NOTUMKDM4E
SCHEMBL1728362 0.69 KDM4E (0.37) NPC1TP53HPGDRAB9ASMN1; SMN2
SCHEMBL9357079 0.69 MAPT (0.52) ALOX15TDP1NPC1HPGDRAB9A
SCHEMBL27639805 0.68 ALDH1A1 (0.42) TDP1NPC1TP53HPGDRAB9A
SCHEMBL22989260 0.67 KDM4E (0.63) TDP1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL979834 0.67 CYP2D6 (0.57) NPC1TP53HPGDRAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070093484-A1 3-Substituted 5,6-diaryl-pyrazine-2-carboxamide and -2-sulfonamide derivatives as cb1 modulators ASTRAZENECA AB (SE) 2007-04-26 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 (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-20070093484-A1 3-Substituted 5,6-diaryl-pyrazine-2-carboxamide and -2-sulfonamide derivatives as cb1 modulators CNR2, CNR1, FAAH ALOX15 2228/4885TDP1 4372/4885NPC1 1878/4885

“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.