SCHEMBL3017604

SCHEMBL3017604

CNC(=O)COc1ccc(Nc2nnc(-c3ccc(C)c(S(N)(=O)=O)c3)c3ccccc23)cc1

nearest known ligand 0.84

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.84
MAPT P10636 5/20 0.81
TP53 P04637 5/20 0.81
SMN1; SMN2 Q16637 2/20 0.81
THRB P10828 2/20 0.81
MTOR P42345 1/20 0.74
POLB P06746 2/20 0.69
ENPP3 O14638 7/20 0.69
GPR174 Q9BXC1 2/20 0.68
CA2 P00918 2/20 0.67
CA9 Q16790 2/20 0.67

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
SCHEMBL3030662 0.92 MAPT (0.86) KMT2AMAPTTP53SMN1; SMN2THRB
SCHEMBL3026202 0.85 MTOR (1.00) KMT2AMAPTTP53SMN1; SMN2THRB
SCHEMBL3026147 0.84 MAPT (0.68) KMT2AMAPTTP53SMN1; SMN2THRB
SCHEMBL23493840 0.83 MAPT (1.00) KMT2AMAPTTP53SMN1; SMN2THRB
SCHEMBL31307834 0.83 MAPT (1.00) KMT2AMAPTTP53SMN1; SMN2THRB
SCHEMBL3028283 0.83 MAPT (0.67) KMT2AMAPTTP53SMN1; SMN2THRB
SCHEMBL22388435 0.82 GPR174 (1.00) KMT2AMAPTTP53THRBPOLB
SCHEMBL15077996 0.76 GPR174 (1.00) KMT2AMAPTTP53THRBPOLB
SCHEMBL23493944 0.76 MAPT (1.00) KMT2AMAPTTP53SMN1; SMN2MTOR
SCHEMBL3027717 0.75 ENPP3 (0.76) KMT2AMAPTTP53SMN1; SMN2THRB

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-9316633-B2 Methods for identifying inhibitors of solute transporters THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-04-19 US disclosed
US-20100190796-A1 METHODS FOR IDENTIFYING INHIBITORS OF SOLUTE TRANSPORTERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-07-29 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-20100190796-A1 METHODS FOR IDENTIFYING INHIBITORS OF SOLUTE TRANSPORTERS SLC2A1, SLC2A3, SLC2A8 KMT2A 4412/4885MAPT 1849/4885TP53 1348/4885

“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.