SCHEMBL6436840

SCHEMBL6436840

O=C(O)Nc1ccc(CNCc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.56
HDAC6 Q9UBN7 1/20 0.56
PTPN1 P18031 1/20 0.56
SMN1; SMN2 Q16637 4/20 0.54
RECQL P46063 1/20 0.54
RAB9A P51151 4/20 0.51
NPC1 O15118 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
TP53 P04637 1/20 0.51
HPGD P15428 1/20 0.51
POLB P06746 2/20 0.50
CHEK1 O14757 1/20 0.50
HIF1A Q16665 1/20 0.50
HDAC3 O15379 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
NPY1R P25929 1/20 0.49
NPY2R P49146 1/20 0.49
FFAR1 O14842 1/20 0.49

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
SCHEMBL11065966 0.85 PTPN1 (0.76) HDAC8HDAC6PTPN1SMN1; SMN2RAB9A
SCHEMBL3773254 0.84 SLC1A3 (0.58) PTPN1MEN1KMT2AHPGDPOLB
SCHEMBL4744610 0.84 NPC1 (0.69) PTPN1SMN1; SMN2RAB9ANPC1MEN1
Bicarbonate SCHEMBL23420914 0.81 HDAC8 (0.64) HDAC8HDAC6SMN1; SMN2MEN1KMT2A
Bicarbonate SCHEMBL11577277 0.81 HDAC8 (0.64) HDAC8HDAC6SMN1; SMN2MEN1KMT2A
SCHEMBL14025738 0.80 NPC1 (0.73) PTPN1SMN1; SMN2RAB9ANPC1MEN1
SCHEMBL17979590 0.80 NPC1 (0.59) PTPN1SMN1; SMN2RAB9ANPC1MEN1
SCHEMBL17744942 0.79 HDAC6 (0.68) HDAC8HDAC6RECQLRAB9ATP53
SCHEMBL10054993 0.78 MEN1 (0.74) HDAC8HDAC6MEN1KMT2ATDP1
SCHEMBL19651945 0.78 MEN1 (0.45) HDAC8HDAC6PTPN1SMN1; SMN2RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) APPLIED RESEARCH SYSTEMS ARS (NL) 2005-06-09 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-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) PTPRS, PTPA, PTPMT1 HDAC8 2841/4885HDAC6 2591/4885PTPN1 23/4885

“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.