SCHEMBL5375868

SCHEMBL5375868

Cc1cc([N+](=O)[O-])ccc1N1CCOC1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
TDP1 Q9NUW8 3/20 0.47
CYP3A4 P08684 3/20 0.47
TSHR P16473 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
LMNA P02545 4/20 0.42
HTT P42858 4/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 2/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
NFKB1 P19838 1/20 0.42
CYP2C19 P33261 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
THRB P10828 1/20 0.42

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
SCHEMBL85193 0.92 ALDH1A1 (0.45) ALDH1A1TDP1CYP3A4TSHRL3MBTL1
SCHEMBL4459556 0.91 L3MBTL1 (0.46) ALDH1A1TDP1CYP3A4TSHRL3MBTL1
SCHEMBL4013521 0.89 CYP3A4 (0.46) ALDH1A1TDP1CYP3A4TSHRL3MBTL1
SCHEMBL19308381 0.86 CRHR1 (0.37) ALDH1A1CYP3A4SMN1; SMN2LMNAHTT
SCHEMBL14864864 0.84 CTSB (0.42) ALDH1A1TDP1CYP3A4SMN1; SMN2LMNA
SCHEMBL11491917 0.83 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2LMNAHTTKMT2A
SCHEMBL5654099 0.83 ALDH1A1 (0.57) ALDH1A1TDP1SMN1; SMN2LMNAKMT2A
SCHEMBL2941971 0.81 ALDH1A1 (0.49) ALDH1A1TDP1CYP3A4TSHRNPC1
SCHEMBL29937859 0.81 ALDH1A1 (0.49) ALDH1A1TDP1CYP3A4TSHRNPC1
SCHEMBL3675118 0.80 ALDH1A1 (0.48) ALDH1A1TDP1CYP3A4TSHRNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040087582-A1 Phenyl derivatives MERCK PATENT GESELLSCHAFT (DE) 2004-05-06 US claimed
EP-1351938-A1 PHENYL DERIVATIVES MERCK PATENT GmbH (DE) 2003-10-15 EP claimed
WO-2002057236-A1 PHENYL DERIVATIVES MERCK PATENT GMBH (DE) 2002-07-25 WO claimed
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
WO-2015067630-A1 SUBSTITUTED URACILS AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-05-14 WO disclosed
US-7273867-B2 Phenyl derivatives MERCK PATENT GMBH (DE) 2007-09-25 US disclosed
US-20040087582-A1 Phenyl derivatives MERCK PATENT GESELLSCHAFT (DE) 2004-05-06 US disclosed
EP-1351938-A1 PHENYL DERIVATIVES MERCK PATENT GmbH (DE) 2003-10-15 EP disclosed
WO-2002057236-A1 PHENYL DERIVATIVES MERCK PATENT GMBH (DE) 2002-07-25 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 (2 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 150/4885TDP1 94/4885CYP3A4 1456/4885
US-20040087582-A1 Phenyl derivatives F2, F11, SERPINC1 ALDH1A1 489/4885TDP1 230/4885CYP3A4 474/4885

“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.