SCHEMBL16747337

SCHEMBL16747337

COC(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.77
KMT2A Q03164 6/20 0.72
SMN1; SMN2 Q16637 4/20 0.69
POLB P06746 1/20 0.69
STAT1 P42224 1/20 0.69
MAPT P10636 8/20 0.69
ALDH1A1 P00352 6/20 0.69
MEN1 O00255 5/20 0.69
LMNA P02545 2/20 0.69
RAB9A P51151 5/20 0.65
NPC1 O15118 4/20 0.65
MCL1 Q07820 1/20 0.65
ACP1 P24666 1/20 0.65
SCD O00767 1/20 0.64
NOD2 Q9HC29 1/20 0.63
CXCR2 P25025 1/20 0.63
RXFP1 Q9HBX9 1/20 0.61
HTT P42858 2/20 0.61
CACNA1B Q00975 1/20 0.60
APBA1 Q02410 1/20 0.60

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
SCHEMBL14375443 0.88 SCD (0.69) DYRK1AKMT2ASMN1; SMN2POLBSTAT1
SCHEMBL11161571 0.88 KMT2A (0.73) DYRK1AKMT2ASMN1; SMN2POLBSTAT1
SCHEMBL30493298 0.88 DYRK1A (0.70) DYRK1AKMT2ASMN1; SMN2POLBSTAT1
SCHEMBL3949427 0.88 DYRK1A (0.70) DYRK1AKMT2ASMN1; SMN2POLBSTAT1
SCHEMBL3924050 0.87 DYRK1A (1.00) DYRK1AKMT2ASMN1; SMN2POLBSTAT1
SCHEMBL9332797 0.85 KMT2A (0.77) DYRK1AKMT2ASMN1; SMN2POLBSTAT1
SCHEMBL16732745 0.85 DYRK1A (0.78) DYRK1AKMT2ASMN1; SMN2POLBSTAT1
SCHEMBL31349444 0.84 KMT2A (0.68) DYRK1AKMT2ASMN1; SMN2POLBSTAT1
SCHEMBL31349449 0.84 KMT2A (0.68) DYRK1AKMT2ASMN1; SMN2POLBSTAT1
SCHEMBL27566837 0.84 DYRK1A (0.76) DYRK1AKMT2ASMN1; SMN2POLBSTAT1

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-9758480-B2 1-(cycloalkyl-carbonyl)proline derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2017-09-12 US disclosed
US-9758480-B2 1-(cycloalkyl-carbonyl)proline derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2017-09-12 US disclosed
US-20150210640-A1 1-(CYCLOALKYL-CARBONYL)PROLINE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2015-07-30 US disclosed
US-20150210640-A1 1-(CYCLOALKYL-CARBONYL)PROLINE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2015-07-30 US disclosed
EP-2876105-A1 1-(CYCLOALKYL-CARBONYL)PROLINE DERIVATIVE Sumitomo Dainippon Pharma Co., Ltd. (JP) 2015-05-27 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 (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-20150210640-A1 1-(CYCLOALKYL-CARBONYL)PROLINE DERIVATIVE RB1, F2, SFPQ DYRK1A 1519/4885KMT2A 484/4885SMN1; SMN2 3586/4885

“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.