SCHEMBL4853371

SCHEMBL4853371

Cc1nnc(CC(=O)c2ccc(Cl)cc2)s1

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.77
NPC1 O15118 7/20 0.77
SMN1; SMN2 Q16637 4/20 0.77
ALDH1A1 P00352 3/20 0.59
HSD11B1 P28845 2/20 0.59
LMNA P02545 2/20 0.59
L3MBTL1 Q9Y468 3/20 0.51
MAPT P10636 4/20 0.48
POLB P06746 2/20 0.48
KMT2A Q03164 1/20 0.46
GSK3B P49841 2/20 0.44
KDM4E B2RXH2 1/20 0.43
HTT P42858 1/20 0.43
MGAM O43451 1/20 0.43
AMY1A P0DUB6 1/20 0.43
GAA P10253 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43

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
Bromide SCHEMBL3843864 0.71 NPC1 (0.43) RAB9ANPC1SMN1; SMN2ALDH1A1HSD11B1
Bromide SCHEMBL3849521 0.69 RAB9A (0.51) RAB9ANPC1SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL9781931 0.69 F2 (0.62) RAB9ANPC1SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL6224695 0.68 RAB9A (1.00) RAB9ANPC1ALDH1A1LMNAL3MBTL1
SCHEMBL6199337 0.68 RAB9A (1.00) RAB9ANPC1ALDH1A1LMNAL3MBTL1
SCHEMBL1753283 0.68 RAB9A (0.85) RAB9ANPC1ALDH1A1LMNAL3MBTL1
SCHEMBL16080089 0.68 RAB9A (0.58) RAB9ANPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL22286589 0.67 SMN1; SMN2 (0.53) RAB9ANPC1SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL8303468 0.66 NPC1 (0.55) RAB9ANPC1ALDH1A1LMNAL3MBTL1
SCHEMBL7850769 0.66 RAB9A (0.55) RAB9ANPC1ALDH1A1HSD11B1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7345009-B2 Reacting 4-phenyl pyraoline compound with phenyl isocyanate compound BAYER CROPSCIENCE AG (DE) 2008-03-18 US disclosed
US-20080064732-A1 Substituted 4-hetarylpyrazolines MAURER FRITZ 2008-03-13 US disclosed
US-20050119128-A1 Substituted 4-hetaryl-pyrazolines as pest control agents BAYER CROPSCIENCE AG (DE) 2005-06-02 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-20080064732-A1 Substituted 4-hetarylpyrazolines CYP4F3, CYP4X1, CYP4B1 RAB9A 363/4885NPC1 2611/4885SMN1; SMN2 2890/4885
US-20050119128-A1 Substituted 4-hetaryl-pyrazolines as pest control agents CYP4X1, CYP4F3, DDT RAB9A 235/4885NPC1 3726/4885SMN1; SMN2 4010/4885

“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.