SCHEMBL6003795

SCHEMBL6003795

O=C(Nc1cccnc1Cl)c1cc[nH]n1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.58
NPC1 O15118 5/20 0.58
POLB P06746 4/20 0.55
HTT P42858 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
KMT2A Q03164 3/20 0.52
MAPT P10636 3/20 0.52
TP53 P04637 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
TDP1 Q9NUW8 2/20 0.51
MEN1 O00255 2/20 0.51
KDM4E B2RXH2 1/20 0.51
RECQL P46063 1/20 0.51
CASP6 P55212 1/20 0.51
CTDSP1 Q9GZU7 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ALDH1A1 P00352 2/20 0.51
LMNA P02545 1/20 0.50
ALOX12 P18054 1/20 0.50

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
SCHEMBL5263966 0.82 KDR (0.60) RAB9ANPC1POLBHTTSMN1; SMN2
SCHEMBL23212117 0.79 NPC1 (0.52) RAB9ANPC1POLBHTTSMN1; SMN2
SCHEMBL4036206 0.77 RAB9A (0.62) RAB9ANPC1POLBHTTSMN1; SMN2
SCHEMBL8299753 0.76 TDP1 (0.68) RAB9ANPC1POLBHTTSMN1; SMN2
SCHEMBL1198985 0.76 NPC1 (0.58) RAB9ANPC1SMN1; SMN2KMT2ATP53
SCHEMBL3096372 0.75 RAB9A (0.79) RAB9ANPC1POLBHTTSMN1; SMN2
SCHEMBL30117873 0.75 RAB9A (0.79) RAB9ANPC1POLBHTTSMN1; SMN2
SCHEMBL445461 0.74 SMN1; SMN2 (0.61) RAB9ANPC1POLBHTTSMN1; SMN2
SCHEMBL1721544 0.74 SMN1; SMN2 (0.65) RAB9ANPC1POLBHTTSMN1; SMN2
SCHEMBL1520680 0.74 RAB9A (0.77) RAB9ANPC1POLBHTTSMN1; 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-20060183780-A1 Pyrazole compounds useful in the treatment of inflammation BIOLIPOX AB (SE) 2006-08-17 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-20060183780-A1 Pyrazole compounds useful in the treatment of inflammation ALOX15, ALOX12, ALOX15B RAB9A 3284/4885NPC1 3112/4885POLB 2660/4885

“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.