SCHEMBL4974247

SCHEMBL4974247

Cc1cc(OCCCCNC(=O)c2ccncc2)ccc1N

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.58
▸ MEN1 O00255 2/20 0.58
▸ NAAA Q02083 1/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ TSHR P16473 1/20 0.51
▸ LMNA P02545 3/20 0.51
▸ CYP1A2 P05177 2/20 0.51
▸ CYP2C9 P11712 2/20 0.51
▸ CYP2C19 P33261 2/20 0.51
▸ HTT P42858 2/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ BRD4 O60885 1/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ NPC1 O15118 3/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ HDAC3 O15379 2/20 0.47
▸ HDAC1 Q13547 2/20 0.47
▸ MAPK1 P28482 1/20 0.45
▸ STAT3 P40763 1/20 0.44

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
SCHEMBL4972806 0.96 KMT2A (0.60) KMT2AMEN1NAAAL3MBTL1TSHR
SCHEMBL10270503 0.84 NPC1 (0.58) KMT2AMEN1L3MBTL1LMNACYP1A2
SCHEMBL4977230 0.79 HPGD (0.52) KMT2AMEN1L3MBTL1TSHRLMNA
SCHEMBL4974356 0.78 ALDH1A1 (0.44) KMT2ATSHRLMNACYP1A2CYP2C9
SCHEMBL4979507 0.76 MTNR1A (0.52) KMT2AMEN1TSHRLMNABRD4
SCHEMBL10271249 0.75 HPGD (0.54) KMT2AMEN1L3MBTL1TSHRLMNA
SCHEMBL10702177 0.75 PDIA6 (0.56) KMT2AMEN1L3MBTL1TSHRHTT
SCHEMBL10271069 0.74 CARM1 (0.46) KMT2AL3MBTL1TSHRLMNACYP1A2
SCHEMBL11650358 0.73 PDIA6 (0.54) KMT2AMEN1L3MBTL1TSHRHTT
SCHEMBL10870020 0.73 PDIA6 (0.54) KMT2AMEN1L3MBTL1TSHRHTT

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-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-05-17 — — 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-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF VHL, TP53, ASAH2 KMT2A 2886/4885MEN1 256/4885NAAA 2927/4885

“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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