SCHEMBL1483637

SCHEMBL1483637

N=C(NO)c1ccc(NC(=O)CCCl)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 11/20 0.50
HDAC3 O15379 9/20 0.50
HDAC6 Q9UBN7 8/20 0.50
HDAC8 Q9BY41 7/20 0.50
HDAC4 P56524 5/20 0.50
ADORA2A P29274 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
TP53 P04637 1/20 0.41
HDAC2 Q92769 4/20 0.40
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
CASP3 P42574 1/20 0.39
CASP2 P42575 1/20 0.39
CASP7 P55210 1/20 0.39

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
SCHEMBL20576296 0.78 MEN1 (0.50) HDAC1HDAC3HDAC6HDAC8HDAC4
SCHEMBL1483185 0.77 HDAC3 (0.48) HDAC1HDAC3HDAC6HDAC8HDAC4
SCHEMBL1483710 0.75 HDAC3 (0.52) HDAC1HDAC3HDAC6HDAC8HDAC4
SCHEMBL1484013 0.74 ATM (0.58) SMN1; SMN2MAPTMEN1KMT2ALMNA
SCHEMBL1484002 0.72 KDM4E (0.55) HDAC1HDAC3HDAC6HDAC8HDAC4
SCHEMBL30736094 0.72 GRM5 (0.50) HDAC1HDAC3HDAC6HDAC8HDAC4
SCHEMBL1483225 0.71 AR (0.53) HDAC1HDAC6SMN1; SMN2MAPTKDM4E
SCHEMBL6450357 0.71 NAMPT (0.46) HDAC1HDAC3HDAC6HDAC8HDAC4
SCHEMBL11720766 0.69 KMT2A (0.68) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL3317660 0.69 HDAC3 (0.62) HDAC1HDAC3HDAC6SMN1; SMN2MAPT

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-8314103-B2 Pyridyl derivatives, their preparation and use Piramal Enterprises Limited (IN) 2012-11-20 US claimed
US-20110077252-A1 PYRIDYL DERIVATIVES, THEIR PREPARATION AND USE Piramal Enterprises Limited (IN) 2011-03-31 US claimed
US-8314103-B2 Pyridyl derivatives, their preparation and use Piramal Enterprises Limited (IN) 2012-11-20 US disclosed
US-20110077252-A1 PYRIDYL DERIVATIVES, THEIR PREPARATION AND USE Piramal Enterprises Limited (IN) 2011-03-31 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-20110077252-A1 PYRIDYL DERIVATIVES, THEIR PREPARATION AND USE HIF1AN, HIF1A, MTOR HDAC1 761/4885HDAC3 904/4885HDAC6 1970/4885

“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.