SCHEMBL4896966

SCHEMBL4896966

COc1nc(Cl)nc(Nc2ccc(CC(C)(Br)C(=O)O)cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
HTT P42858 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 3/20 0.45
POLB P06746 2/20 0.45
CACNA1B Q00975 1/20 0.43
APBA1 Q02410 1/20 0.43
PTGS2 P35354 1/20 0.42
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA9 Q16790 3/20 0.41
CA12 O43570 2/20 0.41
CA14 Q9ULX7 2/20 0.41
GAA P10253 1/20 0.41
KDM4E B2RXH2 2/20 0.40
RORC P51449 1/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL3110215 0.77 MAPT (0.53) MAPTHTTNPSR1SMN1; SMN2MEN1
SCHEMBL14922152 0.75 MAPT (0.55) MAPTHTTNPSR1SMN1; SMN2MEN1
SCHEMBL3121156 0.75 MAPT (0.59) MAPTHTTNPSR1SMN1; SMN2MEN1
SCHEMBL8330270 0.74 MAPT (0.68) MAPTHTTNPSR1SMN1; SMN2MEN1
SCHEMBL13989240 0.74 MAPT (0.52) MAPTHTTNPSR1SMN1; SMN2MEN1
SCHEMBL5367260 0.74 MAPT (0.51) MAPTHTTNPSR1SMN1; SMN2MEN1
SCHEMBL13950835 0.72 TXN (0.64) MAPTHTTNPSR1SMN1; SMN2ALDH1A1
SCHEMBL13989219 0.71 MAPT (0.41) MAPTHTTNPSR1SMN1; SMN2MEN1
SCHEMBL28968730 0.70 MEN1 (0.61) MAPTHTTSMN1; SMN2MEN1KMT2A
SCHEMBL26664476 0.69 BLM (0.52) MAPTSMN1; SMN2MEN1KMT2AALDH1A1

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-9200104-B2 Polymer WARWICK EFFECT POLYMERS LIMITED (GB) 2015-12-01 US disclosed
US-20130295040-A1 POLYMER WARWICK EFFECT POLYMERS LTD (US) 2013-11-07 US disclosed
US-8436104-B2 Polymer WARWICK EFFECT POLYMERS LIMITED (GB) 2013-05-07 US disclosed
US-20080300348-A1 Polymer WARWICK EFFECT POLYMERS LIMITED 2008-12-04 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-20130295040-A1 POLYMER PCNA, PARG, COASY MAPT 3594/4885HTT 3788/4885NPSR1 4546/4885

“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.