SCHEMBL4861387

SCHEMBL4861387

Cc1nnnn1CC(=O)c1ccc(Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 4/20 0.58
AMY1A P0DUB6 4/20 0.58
GAA P10253 4/20 0.58
SI P14410 4/20 0.58
MGAM2 Q2M2H8 4/20 0.58
RAB9A P51151 8/20 0.57
NPC1 O15118 6/20 0.55
MAPT P10636 5/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
ALDH1A1 P00352 4/20 0.49
HTT P42858 2/20 0.49
MITF O75030 1/20 0.49
S1PR4 O95977 1/20 0.49
TP53 P04637 1/20 0.49
S1PR1 P21453 1/20 0.49
MAPK1 P28482 1/20 0.49
KMT2A Q03164 2/20 0.47
LMNA P02545 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
GSK3B P49841 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
SCHEMBL28979378 0.84 MGAM (0.56) MGAMAMY1AGAASIMGAM2
SCHEMBL21826430 0.81 POLB (0.55) MGAMAMY1AGAASIMGAM2
SCHEMBL4860671 0.73 RAB9A (0.54) MGAMAMY1AGAASIMGAM2
SCHEMBL11710847 0.71 MAPK1 (0.62) GAANPC1MAPTALDH1A1MAPK1
SCHEMBL18496481 0.71 ALDH1A1 (0.53) GAARAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL24779795 0.71 MAPT (0.77) MGAMAMY1AGAASIMGAM2
SCHEMBL10875398 0.70 NOS1 (0.67) MGAMAMY1AGAASIMGAM2
SCHEMBL2205869 0.70 LMNA (0.47) MGAMAMY1AGAASIMGAM2
SCHEMBL11620173 0.70 MAPK1 (0.61) RAB9ANPC1SMN1; SMN2ALDH1A1MAPK1
SCHEMBL8947260 0.68 ALDH1A1 (0.73) ALDH1A1HTTLMNAL3MBTL1POLB

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 MGAM 3256/4885AMY1A 444/4885GAA 2737/4885
US-20050119128-A1 Substituted 4-hetaryl-pyrazolines as pest control agents CYP4X1, CYP4F3, DDT MGAM 3591/4885AMY1A 437/4885GAA 3526/4885

“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.