SCHEMBL19399313

SCHEMBL19399313

CB(O)NCCNC(=O)Nc1cnn(C)c1NC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 2/20 0.39
MAPT P10636 2/20 0.36
KMT2A Q03164 4/20 0.34
MEN1 O00255 2/20 0.34
LMNA P02545 2/20 0.34
UTS2R Q9UKP6 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGAV P06756 1/20 0.33
POLB P06746 4/20 0.33
TSHR P16473 1/20 0.33
EPHX1 P07099 1/20 0.33
TRPV1 Q8NER1 2/20 0.32
AURKB Q96GD4 1/20 0.32
KDM4E B2RXH2 2/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL5493797 0.88 NTRK1 (0.42) NTRK1MAPTKMT2AMEN1LMNA
SCHEMBL19213536 0.86 EPHX1 (0.46) NTRK1MAPTKMT2AMEN1ITGB3
Carbamic Acid SCHEMBL5493402 0.84 NTRK1 (0.40) NTRK1MAPTKMT2AMEN1LMNA
SCHEMBL5493399 0.83 NTRK1 (0.39) NTRK1MAPTKMT2AMEN1LMNA
SCHEMBL5492718 0.83 BCHE (0.40) NTRK1LMNAPOLB
SCHEMBL28755600 0.81 NTRK1 (0.39) NTRK1MAPTKMT2AMEN1LMNA
Carbamic Acid SCHEMBL5497853 0.79 NTRK1 (0.36) NTRK1MAPTKMT2AMEN1UTS2R
SCHEMBL5499949 0.79 KMT2A (0.36) NTRK1MAPTKMT2AMEN1LMNA
SCHEMBL5494715 0.79 ITGB3 (0.36) NTRK1MAPTKMT2ALMNAITGB3
SCHEMBL3119092 0.79 LPAR1 (0.38) NTRK1KMT2AMEN1KDM4EHTT

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-20170275300-A1 SYNTHESIS OF CEPHALOSPORIN COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2017-09-28 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-20170275300-A1 SYNTHESIS OF CEPHALOSPORIN COMPOUNDS COASY, NRDC, NUCB2 NTRK1 2913/4885MAPT 4013/4885KMT2A 2284/4885

“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.