SCHEMBL16709591

SCHEMBL16709591

COCCNC(=O)Nc1ccc([N+](=O)[O-])cc1F

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 6/20 0.58
ALDH1A1 P00352 5/20 0.58
MEN1 O00255 8/20 0.55
KMT2A Q03164 8/20 0.55
MAPT P10636 7/20 0.55
LMNA P02545 4/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
NPSR1 Q6W5P4 1/20 0.55
PKM P14618 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
NPC1 O15118 1/20 0.49
MAPK1 P28482 1/20 0.49
RAB9A P51151 1/20 0.49
KDM4E B2RXH2 1/20 0.47
GFER P55789 1/20 0.46
ATM Q13315 2/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.44

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
SCHEMBL7861565 0.86 ALDH1A1 (0.59) HTTALDH1A1MEN1KMT2AMAPT
SCHEMBL16709593 0.84 MEN1 (0.55) HTTALDH1A1MEN1KMT2AMAPT
SCHEMBL16709595 0.80 LMNA (0.49) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL3004695 0.79 HTT (0.69) HTTALDH1A1MEN1KMT2AMAPT
SCHEMBL30725831 0.76 HTT (0.60) HTTALDH1A1MEN1KMT2AMAPT
SCHEMBL8462703 0.76 HTT (0.60) HTTALDH1A1MEN1KMT2AMAPT
SCHEMBL11768979 0.76 HTT (0.58) HTTALDH1A1MEN1KMT2AMAPT
SCHEMBL26758025 0.76 ALDH1A1 (0.58) HTTALDH1A1MEN1KMT2AMAPT
SCHEMBL26758026 0.75 ALDH1A1 (0.55) HTTALDH1A1MEN1KMT2AMAPT
SCHEMBL26758075 0.75 ALDH1A1 (0.52) HTTALDH1A1MEN1KMT2AMAPT

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 HTT 2057/4885ALDH1A1 150/4885MEN1 2815/4885

“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.