SCHEMBL4923738

SCHEMBL4923738

CC(C)Cn1nnc(-c2ccc(N)cc2)n1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
LTA4H P09960 5/20 0.51
HDAC6 Q9UBN7 2/20 0.50
TP53 P04637 2/20 0.47
CYP2C9 P11712 2/20 0.47
USP2 O75604 1/20 0.47
CYP1A2 P05177 1/20 0.47
ALOX15 P16050 1/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
TRPV1 Q8NER1 2/20 0.46
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
GAA P10253 2/20 0.44
MAPT P10636 2/20 0.44

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
SCHEMBL4407341 0.83 TRPV1 (0.59) SMN1; SMN2RAB9ACYP1A2TRPV1CNR1
SCHEMBL4923728 0.81 TRPV1 (0.49) LMNASMN1; SMN2NPC1RAB9ALTA4H
SCHEMBL7143641 0.81 LMNA (1.00) LMNASMN1; SMN2NPC1RAB9ALTA4H
SCHEMBL24948886 0.80 LMNA (0.59) LMNASMN1; SMN2LTA4HHDAC6TP53
SCHEMBL17978449 0.75 LMNA (0.71) LMNASMN1; SMN2NPC1RAB9ALTA4H
SCHEMBL15652903 0.75 LMNA (0.70) LMNASMN1; SMN2NPC1RAB9AHDAC6
SCHEMBL17978506 0.74 LMNA (0.69) LMNASMN1; SMN2NPC1RAB9ALTA4H
SCHEMBL16648468 0.74 LTA4H (0.63) LMNASMN1; SMN2NPC1RAB9ALTA4H
SCHEMBL1674237 0.73 SMN1; SMN2 (0.62) LMNASMN1; SMN2NPC1RAB9ALTA4H
SCHEMBL12763765 0.72 TRPV1 (0.46) LMNASMN1; SMN2LTA4HTRPV1CNR1

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-20080207694-A1 Hydroxamates as Histone Deacetylase Inhibitors and Pharmaceutical Formulations Containing Them ROSSI CRISTINA 2008-08-28 US disclosed
EP-1868997-A1 HYDROXAMATES AS HISTONE DEACETYLASE INHIBITORS AND PHARMACEUTICAL FORMULATIONS CONTAINING THEM Menarini International Operations Luxembourg S.A. (LU) 2007-12-26 EP disclosed
WO-2006097460-A1 HYDROXAMATES AS HISTONE DEACETYLASE INHIBITORS AND PHARMACEUTICAL FORMULATIONS CONTAINING THEM MENARINI INTERNATIONAL OPERATIONS LUXEMBOURG S.A. (LU) 2006-09-21 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-20080207694-A1 Hydroxamates as Histone Deacetylase Inhibitors and Pharmaceutical Formulations Containing Them HDAC1, HDAC8, HDAC9 LMNA 1681/4885SMN1; SMN2 2274/4885NPC1 1193/4885

“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.