SCHEMBL16702015

SCHEMBL16702015

O=C1NCCN1c1ccc([N+](=O)[O-])cc1F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.58
KMT2A Q03164 1/20 0.58
LMNA P02545 4/20 0.50
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPT P10636 3/20 0.45
THRB P10828 1/20 0.45
POLB P06746 3/20 0.43
APEX1 P27695 1/20 0.42
CASP6 P55212 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HIF1A Q16665 1/20 0.41
GAA P10253 1/20 0.41
PARP1 P09874 2/20 0.41
TNK1 Q13470 2/20 0.41
TNK2 Q07912 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
SCHEMBL16701874 0.81 SMN1; SMN2 (0.46) ALDH1A1KMT2ALMNACYP1A2CYP3A4
SCHEMBL17979962 0.80 TSHR (0.47) ALDH1A1KMT2ALMNACYP1A2CYP3A4
SCHEMBL31662966 0.80 CA12 (0.47) ALDH1A1KMT2APOLBPARP1
SCHEMBL5653509 0.80 ALDH1A1 (0.61) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL30738811 0.80 ALDH1A1 (0.61) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL5245525 0.79 ALDH1A1 (0.71) ALDH1A1KMT2ALMNACYP1A2CYP3A4
SCHEMBL14580067 0.78 ALDH1A1 (0.56) ALDH1A1KMT2ALMNACYP3A4SMN1; SMN2
SCHEMBL16701552 0.77 ALDH1A1 (0.46) ALDH1A1KMT2ALMNACYP1A2CYP3A4
SCHEMBL78723 0.77 ALDH1A1 (0.62) ALDH1A1KMT2ALMNACYP1A2CYP3A4
SCHEMBL14464189 0.77 ALDH1A1 (0.79) ALDH1A1KMT2ALMNASMN1; SMN2MAPT

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 7 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-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
US-20160297771-A1 SUBSTITUTED URACILS AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-10-13 US disclosed
EP-3066098-A1 SUBSTITUTED URACILS AND USE THEREOF Bayer Pharma Aktiengesellschaft (DE) 2016-09-14 EP disclosed
WO-2015067630-A1 SUBSTITUTED URACILS AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-05-14 WO 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 ALDH1A1 150/4885KMT2A 3207/4885LMNA 3261/4885

“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.