SCHEMBL13892292

SCHEMBL13892292

CCn1nnc(-c2cccc(Cl)c2)n1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
XPO1 O14980 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.53
LMNA P02545 1/20 0.53
MEN1 O00255 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 1/20 0.48
MAOB P27338 1/20 0.47
RAB9A P51151 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TRPM8 Q7Z2W7 6/20 0.46
NPC1 O15118 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
IDO1 P14902 1/20 0.45
KCNJ6 P48051 1/20 0.45
KCNJ5 P48544 1/20 0.45
KCNJ3 P48549 1/20 0.45

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
SCHEMBL13892296 0.83 SMN1; SMN2 (0.54) XPO1SMN1; SMN2LMNACYP1A2KMT2A
SCHEMBL12377871 0.82 TRPM8 (0.62) XPO1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL13947396 0.82 SMN1; SMN2 (0.54) SMN1; SMN2LMNARAB9AL3MBTL1TRPM8
SCHEMBL5740158 0.81 XPO1 (0.47) XPO1SMN1; SMN2MEN1CYP1A2CYP2C9
SCHEMBL13947009 0.81 SMN1; SMN2 (0.53) SMN1; SMN2LMNARAB9AL3MBTL1TRPM8
SCHEMBL8205448 0.80 XPO1 (0.48) XPO1SMN1; SMN2MEN1CYP1A2CYP2C9
SCHEMBL13880158 0.79 AAK1 (0.47) XPO1CYP2C9RAB9ANPC1IDO1
SCHEMBL2619292 0.79 SMN1; SMN2 (0.68) SMN1; SMN2LMNAMEN1CYP1A2CYP2C19
SCHEMBL10734442 0.79 XPO1 (0.48) XPO1SMN1; SMN2MAOBRAB9AL3MBTL1
SCHEMBL15554936 0.79 XPO1 (0.43) XPO1SMN1; SMN2LMNAMEN1CYP1A2

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-20090098085-A1 TETRAZOLYL ACYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-04-16 US disclosed
US-20090035268-A1 TETRAZOLYL ACYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-02-05 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-20090098085-A1 TETRAZOLYL ACYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS TMPRSS4, PRSS1, SPINT2 XPO1 2852/4885SMN1; SMN2 3971/4885LMNA 3337/4885
US-20090035268-A1 TETRAZOLYL ACYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS TMPRSS4, PRSS1, SPINT2 XPO1 2852/4885SMN1; SMN2 3971/4885LMNA 3337/4885

“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.