SCHEMBL4593633

SCHEMBL4593633

O=C(Nc1ccc(Cl)cc1Cl)N1CCCC1

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.77
NPC1 O15118 2/20 0.68
RAB9A P51151 2/20 0.68
MEN1 O00255 3/20 0.67
KMT2A Q03164 3/20 0.67
TAS1R3 Q7RTX0 2/20 0.67
TAS1R1 Q7RTX1 2/20 0.67
TAS1R2 Q8TE23 2/20 0.67
LMNA P02545 1/20 0.66
KDM4E B2RXH2 1/20 0.65
ALDH1A1 P00352 3/20 0.61
ATM Q13315 1/20 0.61
NPSR1 Q6W5P4 2/20 0.59
RECQL P46063 1/20 0.59
POLB P06746 1/20 0.57
GOT1 P17174 1/20 0.55
HTT P42858 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54

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
SCHEMBL2093132 0.87 MAPT (0.60) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL4390104 0.86 MEN1 (0.62) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL28504510 0.84 MAPT (0.68) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL10253279 0.81 KMT2A (0.57) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL8394174 0.81 RAB9A (0.68) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL702622 0.80 TAS1R3 (1.00) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL9466466 0.80 MAPT (0.58) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL702041 0.78 TAS1R3 (1.00) NPC1RAB9AMEN1KMT2ATAS1R3
SCHEMBL8747146 0.76 MAPT (0.58) MAPTMEN1KMT2ATAS1R3TAS1R1
SCHEMBL10596224 0.76 MAPT (0.69) MAPTNPC1RAB9AMEN1KMT2A

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-8212050-B2 Amidine compounds and herbicides NIPPON SODA CO., LTD. (JP) 2012-07-03 US disclosed
US-20110301355-A1 Amidine compounds and herbicides NIPPON SODA CO., LTD. (JP) 2011-12-08 US disclosed
EP-1911350-A1 AMIDINE COMPOUND AND HERBICIDE NIPPON SODA CO., LTD. (JP) 2008-04-16 EP 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-20110301355-A1 Amidine compounds and herbicides DDT, GATD3, PAM MAPT 4226/4885NPC1 4594/4885RAB9A 1584/4885

“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.