SCHEMBL3775207

SCHEMBL3775207

O=C(NCCCc1ccccn1)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.63
NPC1 O15118 3/20 0.62
KMT2A Q03164 4/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
CYP1A2 P05177 1/20 0.61
CYP2C19 P33261 1/20 0.61
LMNA P02545 1/20 0.57
POLB P06746 1/20 0.57
NAMPT P43490 1/20 0.57
EPHX2 P34913 1/20 0.55
GAA P10253 1/20 0.54
MEN1 O00255 2/20 0.53
MAPK14 Q16539 1/20 0.53
NAAA Q02083 1/20 0.53
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53

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
SCHEMBL1590625 0.95 RAB9A (0.61) RAB9ANPC1KMT2ASMN1; SMN2CYP1A2
SCHEMBL483578 0.91 RAB9A (0.74) RAB9ANPC1KMT2ASMN1; SMN2CYP1A2
SCHEMBL2843465 0.86 SMN1; SMN2 (0.58) RAB9ANPC1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL1394203 0.82 RAB9A (0.74) RAB9ANPC1KMT2ASMN1; SMN2LMNA
SCHEMBL2840152 0.81 SMN1; SMN2 (0.56) RAB9ANPC1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL14562256 0.81 MTNR1A (0.58) RAB9ASMN1; SMN2CYP1A2CYP2C19LMNA
SCHEMBL166484 0.81 LMNA (0.82) RAB9ANPC1KMT2ASMN1; SMN2CYP1A2
SCHEMBL2846951 0.80 SMN1; SMN2 (0.55) RAB9ANPC1SMN1; SMN2CYP1A2CYP2C19
Hydrochloric Acid SCHEMBL27843329 0.80 LMNA (0.80) RAB9ANPC1KMT2ASMN1; SMN2CYP1A2
SCHEMBL13947349 0.79 RAB9A (0.65) RAB9ANPC1KMT2ASMN1; SMN2LMNA

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-20100324102-A1 N-(3-PYRIDIN-2-YLPROPYL) BENZAMIDE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-12-23 US disclosed
EP-2081900-A2 NEW N-(3-PYRIDIN-2-YLPROPYL)BENZAMIDE DERIVATIVES Bayer CropScience SA (FR) 2009-07-29 EP disclosed
WO-2008046838-A2 N- (3-PYRIDIN-2-YLPROPYL) BENZAMIDE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE SA (FR) 2008-04-24 WO 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-20100324102-A1 N-(3-PYRIDIN-2-YLPROPYL) BENZAMIDE DERIVATIVES AS FUNGICIDES CYP51A1, CYP1A2, CYP3A7 RAB9A 2439/4885NPC1 989/4885KMT2A 1086/4885

“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.