SCHEMBL20733201

SCHEMBL20733201

N=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cccc(C(=O)c2ccccccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.45
KMT2A Q03164 2/20 0.44
POLB P06746 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP19A1 P11511 2/20 0.44
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL20733325 0.90 CNR1 (0.44) CNR1KMT2APOLBTDP1ALDH1A1
SCHEMBL20733202 0.90 POLB (0.49) CNR1KMT2APOLBTDP1ALDH1A1
SCHEMBL7547653 0.87 REN (0.49) KMT2APOLBALDH1A1MAPT
SCHEMBL7576771 0.87 POLB (0.49) CNR1KMT2APOLBTDP1ALDH1A1
SCHEMBL7559571 0.87 KMT2A (0.45) CNR1KMT2APOLBTDP1
SCHEMBL20302834 0.87 MAPT (0.54) KMT2APOLBMAPT
SCHEMBL7567597 0.86 REN (0.44) CNR1KMT2APOLBTDP1
SCHEMBL7552996 0.85 KMT2A (0.45) KMT2ATDP1ALDH1A1MAPT
SCHEMBL7538262 0.85 RAB9A (0.45) KMT2APOLBALDH1A1MAPT
SCHEMBL7565742 0.85 IDO1 (0.45) CNR1KMT2APOLBTDP1ALDH1A1

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-20190046507-A1 COMPOUNDS FOR THE TREATMENT OF MALARIA MERCK SHARP & DOHME CORP. (US) 2019-02-14 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-20190046507-A1 COMPOUNDS FOR THE TREATMENT OF MALARIA CTSL, SERPINB1, SERPINE1 CNR1 3210/4885KMT2A 3046/4885POLB 3133/4885

“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.