SCHEMBL1590625

SCHEMBL1590625

O=C(NCCCCc1ccccn1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.61
KMT2A Q03164 3/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
CYP1A2 P05177 1/20 0.60
CYP2C19 P33261 1/20 0.60
NPC1 O15118 3/20 0.56
LMNA P02545 1/20 0.56
POLB P06746 1/20 0.56
NAAA Q02083 1/20 0.55
HDAC3 O15379 1/20 0.55
HDAC4 P56524 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC11 Q96DB2 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
HDAC9 Q9UKV0 1/20 0.55
HDAC5 Q9UQL6 1/20 0.55

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
SCHEMBL3775207 0.95 RAB9A (0.63) RAB9AKMT2ASMN1; SMN2CYP1A2CYP2C19
SCHEMBL483578 0.89 RAB9A (0.74) RAB9AKMT2ASMN1; SMN2CYP1A2CYP2C19
SCHEMBL2840152 0.86 SMN1; SMN2 (0.56) RAB9ASMN1; SMN2CYP1A2CYP2C19NPC1
SCHEMBL2846951 0.85 SMN1; SMN2 (0.55) RAB9ASMN1; SMN2CYP1A2CYP2C19NPC1
SCHEMBL2843465 0.81 SMN1; SMN2 (0.58) RAB9ASMN1; SMN2CYP1A2CYP2C19NPC1
SCHEMBL1394203 0.81 RAB9A (0.74) RAB9AKMT2ASMN1; SMN2NPC1LMNA
SCHEMBL10542399 0.81 LMNA (0.54) RAB9ASMN1; SMN2CYP1A2CYP2C19LMNA
SCHEMBL8779817 0.80 HDAC1 (0.79) RAB9ASMN1; SMN2NPC1LMNAPOLB
SCHEMBL5259033 0.80 NAMPT (0.49) RAB9AKMT2ASMN1; SMN2NPC1LMNA
SCHEMBL166484 0.80 LMNA (0.82) RAB9AKMT2ASMN1; SMN2CYP1A2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110092558-A1 NOVEL MICROBIOCIDES SYNGENTA CROP PROTECTION, INC. (US) 2011-04-21 US disclosed
EP-2262776-A2 NOVEL MICROBIOCIDES Syngenta Participations AG (CH) 2010-12-22 EP disclosed
US-20090318290-A1 N-(4-PYRIDIN-2-YLBUTYL) BENZAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE SA (FR) 2009-12-24 US disclosed
WO-2009127722-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-10-22 WO disclosed
WO-2009127718-A2 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-10-22 WO disclosed
WO-2009127726-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-10-22 WO disclosed
EP-2041090-A1 N- (4-PYRIDIN-2-YLBUTYL) BENZAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES Bayer CropScience SA (FR) 2009-04-01 EP disclosed
WO-2008003745-A1 N- (4-PYRIDIN-2-YLBUTYL) BENZAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE SA (FR) 2008-01-10 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 (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-20110092558-A1 NOVEL MICROBIOCIDES FPR1, CD14, MPO RAB9A 1548/4885KMT2A 4219/4885SMN1; SMN2 4007/4885
US-20090318290-A1 N-(4-PYRIDIN-2-YLBUTYL) BENZAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES CYP1A2, CYP51A1, CYP4B1 RAB9A 2823/4885KMT2A 1185/4885SMN1; SMN2 1992/4885

“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.