SCHEMBL5113660

SCHEMBL5113660

COc1cc(CNCCNC(=O)O)ccc1OCc1ccc(F)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.57
KMT2A Q03164 5/20 0.54
MAPT P10636 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
TP53 P04637 1/20 0.54
POLB P06746 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
MAPK1 P28482 2/20 0.53
RAB9A P51151 3/20 0.53
NPC1 O15118 1/20 0.53
PKM P14618 1/20 0.53
KDM4E B2RXH2 3/20 0.52
HTT P42858 2/20 0.52
LMNA P02545 1/20 0.52
NPY1R P25929 1/20 0.52
NPY2R P49146 1/20 0.52
MEN1 O00255 1/20 0.52
MTNR1A P48039 1/20 0.51
MTNR1B P49286 1/20 0.51

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
SCHEMBL5120825 0.93 BCHE (0.55) BCHEKMT2AMAPTTDP1TP53
SCHEMBL5113589 0.91 BCHE (0.69) BCHEKMT2ASMN1; SMN2MAPK1RAB9A
SCHEMBL3458730 0.88 KMT2A (0.55) BCHEKMT2AMAPTTDP1NPSR1
SCHEMBL14078214 0.86 KMT2A (0.50) BCHEKMT2AMAPTTDP1TP53
SCHEMBL3458474 0.85 KMT2A (0.70) BCHEKMT2AMAPTNPSR1SMN1; SMN2
SCHEMBL5315461 0.84 BCHE (0.67) BCHEKMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL15508239 0.83 L3MBTL1 (0.64) BCHEKMT2AMAPTTP53POLB
SCHEMBL3457501 0.82 HTT (0.65) BCHEKMT2AMAPTPOLBSMN1; SMN2
SCHEMBL5114841 0.81 LMNA (0.67) BCHEKMT2AMAPTTDP1TP53
SCHEMBL20246693 0.81 MAOB (0.55) BCHEKMT2AMAPTTDP1TP53

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-20080214654-A1 Substituted Benzyloxy-Phenylmethylamide Derivatives BAYER HEALTHCARE AG (DE) 2008-09-04 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-20080214654-A1 Substituted Benzyloxy-Phenylmethylamide Derivatives OPRL1, ADRA1A, CNR1 BCHE 551/4885KMT2A 1539/4885MAPT 806/4885

“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.