SCHEMBL17540239

SCHEMBL17540239

Cc1ccnc(NCCCNC(=O)c2cc(-c3cccs3)[nH]n2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ MAPT P10636 2/20 0.43
▸ USP2 O75604 1/20 0.43
▸ KDM4E B2RXH2 3/20 0.42
▸ LMNA P02545 3/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ POLB P06746 2/20 0.42
▸ HCRTR1 O43613 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ HDAC3 O15379 2/20 0.42
▸ HDAC1 Q13547 2/20 0.42
▸ HDAC6 Q9UBN7 2/20 0.42
▸ HTR2A P28223 1/20 0.41
▸ APP P05067 1/20 0.40
▸ HPGD P15428 1/20 0.38
▸ NTRK1 P04629 1/20 0.38
▸ NTRK3 Q16288 1/20 0.38
▸ CYP1A2 P05177 1/20 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
SCHEMBL17540247 0.87 KMT2A (0.45) KMT2AMEN1L3MBTL1MAPTUSP2
SCHEMBL17545650 0.86 KMT2A (0.44) KMT2AMEN1L3MBTL1MAPTUSP2
SCHEMBL17540234 0.86 KMT2A (0.44) KMT2AMEN1L3MBTL1MAPTUSP2
SCHEMBL17540199 0.85 EPHX2 (0.42) KMT2AMEN1HDAC3HDAC1HDAC6
SCHEMBL19440808 0.84 KMT2A (0.54) KMT2AMEN1L3MBTL1MAPTUSP2
SCHEMBL19440806 0.84 KMT2A (0.51) KMT2AMEN1L3MBTL1MAPTUSP2
SCHEMBL19440833 0.84 KMT2A (0.53) KMT2AMEN1L3MBTL1MAPTUSP2
SCHEMBL19440822 0.82 KMT2A (0.51) KMT2AMEN1L3MBTL1MAPTUSP2
SCHEMBL19440814 0.81 KMT2A (0.51) KMT2AMEN1L3MBTL1MAPTUSP2
SCHEMBL19440853 0.81 KMT2A (0.52) KMT2AMEN1L3MBTL1MAPTUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9505729-B2 Isoxazole analogs as mediators of transcriptional induction of E-cadherin VANDERBILT UNIVERSITY (US) 2016-11-29 — — US disclosed
US-20160052896-A1 ISOXAZOLE ANALOGS AS MEDIATORS OF TRANSCRIPTIONAL INDUCTION OF E-CADHERIN VANDERBILT UNIVERSITY 2016-02-25 — — 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-20160052896-A1 ISOXAZOLE ANALOGS AS MEDIATORS OF TRANSCRIPTIONAL INDUCTION OF E-CADHERIN CDH1, VIM, EPCAM KMT2A 3375/4885MEN1 3924/4885L3MBTL1 3823/4885

“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.

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