SCHEMBL4722407

SCHEMBL4722407

CCCNC(=O)c1csc(-c2c(-c3ccc(F)cc3)noc2CBr)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
TP53 P04637 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
HIF1A Q16665 1/20 0.46
TLR7 Q9NYK1 1/20 0.41
HDAC6 Q9UBN7 5/20 0.41
MAPT P10636 1/20 0.39
HDAC3 O15379 2/20 0.38
HDAC4 P56524 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC7 Q8WUI4 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC10 Q969S8 2/20 0.38
HDAC11 Q96DB2 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC9 Q9UKV0 2/20 0.38
HDAC5 Q9UQL6 2/20 0.38

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
SCHEMBL4762962 0.87 TP53 (0.48) NPC1RAB9ATP53SMN1; SMN2LMNA
SCHEMBL4722400 0.86 TLR7 (0.42) NPC1RAB9ATP53SMN1; SMN2LMNA
SCHEMBL6002771 0.85 TP53 (0.41) NPC1RAB9ATP53SMN1; SMN2LMNA
SCHEMBL4719075 0.83 MMP13 (0.47) NPC1RAB9ASMN1; SMN2LMNAMAPT
Isopropylamine SCHEMBL4925679 0.81 PTPN1 (0.42) TLR7MAPK14PTGS2
SCHEMBL4762024 0.81 TP53 (0.43) NPC1RAB9ATP53SMN1; SMN2LMNA
SCHEMBL4720968 0.80 NPC1 (0.41) NPC1RAB9ATP53SMN1; SMN2LMNA
SCHEMBL6004627 0.77 ACKR3 (0.40) NPC1RAB9ATP53SMN1; SMN2LMNA
SCHEMBL6004885 0.76 TLR7 (0.41) NPC1RAB9ATP53SMN1; SMN2LMNA
SCHEMBL27965978 0.74 RAB9A (0.61) NPC1RAB9ATP53SMN1; SMN2LMNA

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
EP-1871770-A1 ORTHO-TERPHENYL INHIBITORS OF P38 KINASE AND METHODS OF TREATING INFLAMMATORY DISORDERS Kalypsys, Inc. (US) 2008-01-02 EP disclosed
US-20060252807-A1 Novel ortho-terphenyl inhibitors of p38 kinase and methods of treating inflammatory disorders KALYPSYS, INC. 2006-11-09 US disclosed
WO-2006116355-A1 ORTHO-TERPHENYL INHIBITORS OF P38 KINASE AND METHODS OF TREATING INFLAMMATORY DISORDERS KALYPSYS, INC. (US) 2006-11-02 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-20060252807-A1 Novel ortho-terphenyl inhibitors of p38 kinase and methods of treating inflammatory disorders MAPK1, MAP3K1, MAPK4 NPC1 1832/4885RAB9A 883/4885TP53 1429/4885

“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.