SCHEMBL16709593

SCHEMBL16709593

O=C(NCCCl)Nc1ccc([N+](=O)[O-])cc1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.55
KMT2A Q03164 9/20 0.55
MAPT P10636 8/20 0.55
HTT P42858 5/20 0.55
ALDH1A1 P00352 5/20 0.55
LMNA P02545 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
NPSR1 Q6W5P4 1/20 0.55
NPC1 O15118 1/20 0.55
MAPK1 P28482 1/20 0.55
RAB9A P51151 1/20 0.55
RORC P51449 1/20 0.45
GAA P10253 2/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
TRPV1 Q8NER1 1/20 0.44
CNR1 P21554 1/20 0.43
THRB P10828 1/20 0.43

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
SCHEMBL16709591 0.84 HTT (0.58) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL17979913 0.82 KMT2A (0.56) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL16964497 0.79 RAB9A (0.47) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL9836357 0.79 MAPT (0.57) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL8415405 0.78 LMNA (0.57) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL10805170 0.77 POLB (0.68) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL18147758 0.77 MAPT (0.62) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL18147762 0.77 MAPT (0.62) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL4472308 0.77 MAPT (0.56) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL8466528 0.76 ALDH1A1 (0.54) MEN1KMT2AMAPTHTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9751843-B2 Substituted uracils and use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-09-05 US disclosed
US-20160297771-A1 SUBSTITUTED URACILS AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-10-13 US disclosed
WO-2015067630-A1 SUBSTITUTED URACILS AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-05-14 WO 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-20160297771-A1 SUBSTITUTED URACILS AND USE THEREOF UNG, UMPS, TYMP MEN1 2815/4885KMT2A 3207/4885MAPT 3023/4885

“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.