SCHEMBL271900

SCHEMBL271900

O=Cc1cccc(C(=O)NN2CCCCC2)c1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.62
UNG P13051 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
PARP1 P09874 1/20 0.45
CNR2 P34972 4/20 0.42
CNR1 P21554 2/20 0.41

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
SCHEMBL4612423 0.86 HTT (0.77) HTTNPC1RAB9ASMN1; SMN2HDAC8
SCHEMBL6946370 0.80 HTT (0.68) HTTNPC1RAB9ASMN1; SMN2HDAC8
N-Piperidinobenzamide SCHEMBL696161 0.77 HTT (1.00) HTTNPC1RAB9ASMN1; SMN2CYP2C9
SCHEMBL9282775 0.77 HTT (1.00) HTTNPC1RAB9ASMN1; SMN2CYP2C9
SCHEMBL279859 0.77 HTT (0.63) HTTNPC1RAB9ASMN1; SMN2HDAC8
SCHEMBL1471436 0.77 HPGD (0.62) HTTUNGNPC1RAB9ASMN1; SMN2
SCHEMBL7698519 0.77 HTT (0.63) HTTNPC1RAB9ASMN1; SMN2HDAC8
Ammonia Solution, Strong SCHEMBL28325092 0.76 HPGD (0.60) HTTUNGNPC1RAB9ASMN1; SMN2
SCHEMBL2399935 0.76 HTT (0.96) HTTNPC1RAB9ASMN1; SMN2HDAC8
SCHEMBL15650472 0.75 HPGD (0.61) HTTUNGSMN1; SMN2LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8133888-B2 Hydrazide containing taxane conjugates SUN PHARMA ADVANCED RESEARCH COMPANY LTD. (IN) 2012-03-13 US disclosed
US-8133888-B2 Hydrazide containing taxane conjugates SUN PHARMA ADVANCED RESEARCH COMPANY LTD. (IN) 2012-03-13 US disclosed
US-20110172226-A1 NOVEL HYDRAZIDE CONTAINING TAXANE CONJUGATES SUN PHARMA ADVANCED RESEARCH COMPANY LTD. (IN) 2011-07-14 US disclosed
US-20110172226-A1 NOVEL HYDRAZIDE CONTAINING TAXANE CONJUGATES SUN PHARMA ADVANCED RESEARCH COMPANY LTD. (IN) 2011-07-14 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 (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-20110172226-A1 NOVEL HYDRAZIDE CONTAINING TAXANE CONJUGATES H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-3, H1-5 HTT 154/4885UNG 3553/4885NPC1 2919/4885

“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.