SCHEMBL4979507

SCHEMBL4979507

Cc1cc(OCCCCNC(=O)C2CC2)ccc1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 5/20 0.52
▸ MTNR1B P49286 4/20 0.52
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ CNR1 P21554 3/20 0.50
▸ CNR2 P34972 3/20 0.50
▸ ALDH1A1 P00352 3/20 0.49
▸ ESR1 P03372 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ USP2 O75604 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ BRD4 O60885 1/20 0.46
▸ NPC1 O15118 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ EPHX2 P34913 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
SCHEMBL4974356 0.80 ALDH1A1 (0.44) MTNR1AMTNR1BKMT2AALDH1A1MAPT
SCHEMBL4977230 0.78 HPGD (0.52) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL10702177 0.77 PDIA6 (0.56) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL4974247 0.76 KMT2A (0.58) MEN1KMT2ALMNATSHRBRD4
SCHEMBL10271069 0.76 CARM1 (0.46) KMT2AALDH1A1MAPTLMNAHPGD
SCHEMBL11650358 0.75 PDIA6 (0.54) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL10870020 0.75 PDIA6 (0.54) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL10271249 0.74 HPGD (0.54) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL10270503 0.74 NPC1 (0.58) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL10870432 0.73 PDIA6 (0.51) MEN1KMT2AALDH1A1MAPTKDM4E

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 MTNR1A 2299/4885MTNR1B 1508/4885MEN1 256/4885

“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.

Send feedback