SCHEMBL4785235

SCHEMBL4785235

CCOC(=O)n1ncc2c([N+](=O)[O-])cc(F)cc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 1/20 0.52
MAPT P10636 6/20 0.46
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
GPR174 Q9BXC1 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
MITF O75030 2/20 0.37
LMNA P02545 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CTSB P07858 1/20 0.36
POLB P06746 3/20 0.36
ELANE P08246 1/20 0.35

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
SCHEMBL4788666 0.84 CREBBP (0.51) CREBBPMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL4787096 0.80 KMT2A (0.39) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL15081340 0.77 CREBBP (0.43) CREBBPMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL27227902 0.74 CREBBP (0.46) CREBBPMAPTALDH1A1MEN1KMT2A
SCHEMBL15081229 0.72 CREBBP (0.39) CREBBPMAPTALDH1A1CYP1A2CYP2C9
SCHEMBL14272018 0.71 CREBBP (0.75) CREBBPMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL1863124 0.69 CREBBP (0.42) CREBBPALDH1A1SMN1; SMN2CYP1A2LMNA
SCHEMBL17548191 0.68 AGBL2 (0.43) MAPTALDH1A1SMN1; SMN2MITFLMNA
SCHEMBL30860870 0.68 CREBBP (0.38) CREBBPALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL8656016 0.68 ALDH1A1 (0.47) MAPTALDH1A1SMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427436-B1 SUBSTITUTED AROMATIC CARBOXAMIDE AND UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS GRUENENTHAL GMBH (DE) 2013-01-09 EP disclosed
US-8334315-B2 Substituted aromatic carboxamide and urea derivatives as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2012-12-18 US disclosed
US-20110003795-A1 Substituted Aromatic Carboxamide and Urea Derivatives as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2011-01-06 US disclosed
WO-2010127855-A1 SUBSTITUTED AROMATIC CARBOXAMIDE AND UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2010-11-11 WO disclosed
WO-2008110863-A1 INDAZOLE DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS GLENMARK PHARMACEUTICALS S.A. (US) 2008-09-18 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-20110003795-A1 Substituted Aromatic Carboxamide and Urea Derivatives as Vanilloid Receptor Ligands TRPV1, UTS2R, CNR2 CREBBP 500/4885MAPT 1641/4885ALDH1A1 2165/4885

“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.