SCHEMBL16704191

SCHEMBL16704191

Cc1cc(N2CCOC2=O)ccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.56
ALDH1A1 P00352 6/20 0.46
KDM4E B2RXH2 3/20 0.46
MAPT P10636 9/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
CMA1 P23946 1/20 0.41
SIRT6 Q8N6T7 1/20 0.41
PKM P14618 1/20 0.41
LMNA P02545 2/20 0.40
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2C9 P11712 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL19308366 0.86 HPGD (0.40) HPGDALDH1A1KDM4ECMA1
SCHEMBL19308367 0.84 CMA1 (0.44) HPGDALDH1A1MAPTL3MBTL1CMA1
SCHEMBL31347244 0.83 ATM (0.45) HPGDALDH1A1MAPTL3MBTL1NPC1
SCHEMBL14580058 0.83 ATM (0.45) HPGDALDH1A1MAPTL3MBTL1NPC1
SCHEMBL30884547 0.83 LMNA (0.60) ALDH1A1MAPTCMA1SIRT6PKM
SCHEMBL29208209 0.83 LMNA (0.60) ALDH1A1MAPTCMA1SIRT6PKM
SCHEMBL2945030 0.81 HPGD (0.53) HPGDALDH1A1KDM4EMAPTL3MBTL1
SCHEMBL8919351 0.81 MAPT (0.49) ALDH1A1KDM4EMAPTL3MBTL1RAB9A
SCHEMBL9776304 0.81 KAT2B (0.49) ALDH1A1KDM4EMAPTL3MBTL1NPC1
SCHEMBL11259287 0.80 SIRT6 (0.56) HPGDALDH1A1MAPTRAB9ASIRT6

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 8 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
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

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 HPGD 537/4885ALDH1A1 150/4885KDM4E 3281/4885

“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.