Sugi Predict

Sugi Predict / Compounds / SCHEMBL16701552

SCHEMBL16701552

SCHEMBL16701552

Nc1ccc(N2CCNC2=O)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.46
▸ MAPT P10636 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ GFER P55789 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ SCN9A Q15858 2/20 0.43
▸ ALOX5AP P20292 1/20 0.42
▸ FEN1 P39748 1/20 0.42
▸ PARP1 P09874 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ POLB P06746 2/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA4 P22748 1/20 0.39
▸ CA6 P23280 1/20 0.39
▸ CA5A P35218 1/20 0.39
▸ CA7 P43166 1/20 0.39

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
SCHEMBL31662966 0.86 CA12 (0.47) ALDH1A1SCN9AALOX5APFEN1PARP1
SCHEMBL12069971 0.82 SCN9A (0.42) ALDH1A1MAPTSCN9AALOX5APFEN1
SCHEMBL8305608 0.82 SCN9A (0.42) ALDH1A1SCN9AALOX5APFEN1PARP1
SCHEMBL7390034 0.82 SCN9A (0.42) ALDH1A1MAPTSCN9AALOX5APFEN1
SCHEMBL16965765 0.82 ESR1 (0.46) ALDH1A1MAPTSCN9AALOX5APFEN1
SCHEMBL16701822 0.80 ALDH1A1 (0.53) ALDH1A1MAPTTDP1POLBCA1
SCHEMBL5652209 0.78 ALDH1A1 (0.49) ALDH1A1MAPTLMNAMAPK1GFER
SCHEMBL24319707 0.78 CRBN (0.57) ALDH1A1MAPTLMNAMAPK1GFER
SCHEMBL16702126 0.77 ALDH1A1 (0.39) ALDH1A1MAPTSCN9AALOX5APFEN1
SCHEMBL5246344 0.77 ALDH1A1 (0.51) ALDH1A1MAPTLMNAMAPK1GFER

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 9 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-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
CN-105980381-A Substituted uracils and use thereof 拜耳医药股份有限公司 2016-09-28 — — CN 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 150/4885MAPT 3023/4885LMNA 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.