SCHEMBL6985785

SCHEMBL6985785

COc1ccc2c(c1)N(C(C)=O)CCO2

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.60
MEN1 O00255 2/20 0.60
NOTUM Q6P988 2/20 0.60
TDP1 Q9NUW8 1/20 0.59
TP53 P04637 3/20 0.58
THRB P10828 2/20 0.58
MAPT P10636 1/20 0.58
POLB P06746 1/20 0.52
PDE3B Q13370 2/20 0.51
PDE3A Q14432 2/20 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
SCHEMBL13699025 0.89 NOTUM (0.60) KMT2AMEN1NOTUMTDP1TP53
SCHEMBL30804501 0.89 THRB (0.58) KMT2AMEN1NOTUMTDP1TP53
SCHEMBL31452930 0.83 THRB (0.53) KMT2AMEN1TDP1TP53THRB
SCHEMBL10274847 0.81 NOTUM (0.65) KMT2AMEN1NOTUMTP53THRB
SCHEMBL5533649 0.81 NOTUM (0.65) KMT2AMEN1NOTUMTDP1POLB
SCHEMBL13699015 0.81 NOTUM (0.57) KMT2AMEN1NOTUMTDP1TP53
SCHEMBL594255 0.79 NOTUM (0.63) KMT2AMEN1NOTUMTDP1POLB
SCHEMBL395823 0.79 NOTUM (0.63) KMT2AMEN1NOTUMTDP1POLB
SCHEMBL4898938 0.79 THRB (0.54) KMT2AMEN1TDP1TP53THRB
SCHEMBL23675063 0.79 NPC1 (0.49) KMT2ATP53THRBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210317137-A1 NEAR-INFRARED NERVE-SPARING FLUOROPHORES OREGON HEALTH & SCIENCE UNIVERSITY (US) 2021-10-14 US disclosed
US-6620809-B2 Useful in treating or in preventing melatoninergic disorders LES LABORATOIRES SERVIER (FR) 2003-09-16 US disclosed
EP-1106608-B1 Substituted (dihydro)benzoxazine and (dihydro)benzothiazine derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2003-03-05 EP disclosed
US-20010003747-A1 New substituted (dihydro)benzoxazine and (dihydro)benzothiazine compounds LES LABORATOIRES SERVIER (FR) 2001-06-14 US disclosed
EP-1106608-A1 Substituted (dihydro)benzoxazine and (dihydro)benzothiazine derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2001-06-13 EP 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 (2 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-20010003747-A1 New substituted (dihydro)benzoxazine and (dihydro)benzothiazine compounds MTNR1A, MTNR1B, SQOR KMT2A 800/4885MEN1 1534/4885NOTUM 4336/4885
US-20210317137-A1 NEAR-INFRARED NERVE-SPARING FLUOROPHORES NTRK1, NGF, SMN1; SMN2 KMT2A 4578/4885MEN1 643/4885NOTUM 2998/4885

“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.