SCHEMBL1024997

SCHEMBL1024997

Nc1cccc(CSCc2cccc(NC(=O)O)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDX3X O00571 2/20 0.50
ALDH1A1 P00352 2/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
MAPT P10636 5/20 0.46
LMNA P02545 1/20 0.45
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45

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
SCHEMBL1027528 0.92 MAPT (0.47) DDX3XALDH1A1HDAC3HDAC4HDAC1
SCHEMBL4334746 0.86 MAOA (0.58) DDX3XALDH1A1HDAC3HDAC4HDAC1
SCHEMBL4334116 0.85 DDX3X (0.46) DDX3XALDH1A1HDAC3HDAC4HDAC1
SCHEMBL1073949 0.82 DDX3X (0.50) DDX3XALDH1A1HDAC3HDAC4HDAC1
SCHEMBL1025424 0.81 DDX3X (0.74) DDX3XALDH1A1HDAC3HDAC4HDAC1
SCHEMBL13623128 0.80 AURKA (0.46) DDX3XALDH1A1HDAC3HDAC1HDAC2
SCHEMBL1073026 0.79 KMT2A (0.57) DDX3XALDH1A1HDAC3HDAC4HDAC1
SCHEMBL1075530 0.79 DDX3X (0.50) DDX3XALDH1A1HDAC3HDAC4HDAC1
SCHEMBL3248231 0.79 MAOB (0.56) ALDH1A1RAB9ANPC1CYP3A4MAOA
SCHEMBL1027572 0.78 DDX3X (0.45) DDX3XALDH1A1HDAC3HDAC4HDAC1

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-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US disclosed
EP-2274288-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS Incyte Corporation (US) 2011-01-19 EP disclosed
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 US disclosed
WO-2009132202-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-10-29 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-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS JAK2, JAK1, ALK DDX3X 3846/4885ALDH1A1 2511/4885HDAC3 390/4885

“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.