SCHEMBL1663340

SCHEMBL1663340

CCCOc1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.59
MAPT P10636 5/20 0.56
LMNA P02545 2/20 0.56
NPSR1 Q6W5P4 2/20 0.56
ALDH1A1 P00352 1/20 0.56
KMT2A Q03164 1/20 0.56
HPGD P15428 3/20 0.52
RAB9A P51151 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
NPC1 O15118 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
HSD17B10 Q99714 1/20 0.51
KDM4E B2RXH2 1/20 0.47
HTT P42858 1/20 0.45
TDP1 Q9NUW8 2/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL10036380 0.92 MAPT (0.58) CYP19A1MAPTLMNANPSR1ALDH1A1
SCHEMBL12952804 0.90 CYP19A1 (0.62) CYP19A1MAPTLMNANPSR1ALDH1A1
SCHEMBL6815842 0.88 MAPT (0.71) CYP19A1MAPTLMNANPSR1ALDH1A1
SCHEMBL30571397 0.87 MAPT (0.62) MAPTLMNANPSR1ALDH1A1KMT2A
SCHEMBL5431670 0.87 MAPT (0.62) MAPTLMNANPSR1ALDH1A1KMT2A
SCHEMBL2910058 0.86 MAPT (0.54) CYP19A1MAPTLMNANPSR1ALDH1A1
SCHEMBL3538406 0.86 HSD17B10 (0.53) CYP19A1MAPTLMNANPSR1ALDH1A1
SCHEMBL4226708 0.85 CYP19A1 (0.63) CYP19A1MAPTLMNANPSR1ALDH1A1
SCHEMBL21331700 0.85 MAPT (0.60) CYP19A1MAPTLMNANPSR1ALDH1A1
SCHEMBL10036151 0.84 HSD17B10 (0.51) CYP19A1MAPTLMNANPSR1ALDH1A1

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
EP-2305652-A2 Trisubstituted quinazolinone derivatives as vanilloid antagonists Novartis AG (CH) 2011-04-06 EP disclosed
US-20090082365-A1 Trisubstituted Quinazolinone Derivatives as Vanilloid Antagonists NOVARTIS AG 2009-03-26 US disclosed
US-20090082365-A1 Trisubstituted Quinazolinone Derivatives as Vanilloid Antagonists NOVARTIS AG 2009-03-26 US disclosed
CN-101356160-A Trisubstituted quinazolinone derivatives as vanilloid antagonists JANSSEN PHARMACEUTICA NV (CH) 2009-01-28 CN disclosed
EP-1963283-A2 TRISUBSTITUTED QUINAZOLINONE DERIVATIVES AS VANILLOID ANTAGONISTS Novartis AG (CH) 2008-09-03 EP disclosed
WO-2007065662-A2 TRISUBSTITUTED QUINAZOLINONE DERIVATIVES AS VANILLOID ANTAGONISTS NOVARTIS AG (CH) 2007-06-14 WO disclosed
US-4292070-A N-Substituted tetrahydrophthalimide and herbicidal composition MITSUBISHI CHEMICAL INDUSTRIES, LTD. (JP) 1981-09-29 US 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-20090082365-A1 Trisubstituted Quinazolinone Derivatives as Vanilloid Antagonists TRPV1, TRPV3, TRPV5 CYP19A1 3829/4885MAPT 2714/4885LMNA 4282/4885

“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.