SCHEMBL10145651

SCHEMBL10145651

COCOc1ccc2c(c1)Oc1cc(N(C)c3ccc([N+](=O)[O-])cc3)ccc1C21OC(=O)c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.56
MAPT P10636 6/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
ALDH1A1 P00352 4/20 0.48
HTT P42858 2/20 0.48
LMNA P02545 2/20 0.48
USP2 O75604 1/20 0.48
FTO Q9C0B1 4/20 0.44
HPGD P15428 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
CYP2C19 P33261 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42
SMAD3 P84022 1/20 0.42
PRMT1 Q99873 1/20 0.42
ACE2 Q9BYF1 1/20 0.42
GSTP1 P09211 1/20 0.39
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37

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
SCHEMBL10145626 0.91 CYP3A4 (0.65) CYP3A4MAPTMEN1KMT2AALDH1A1
SCHEMBL10145657 0.88 CYP3A4 (0.60) CYP3A4MAPTMEN1KMT2AALDH1A1
SCHEMBL10145642 0.86 CYP3A4 (0.56) CYP3A4MAPTMEN1KMT2AALDH1A1
SCHEMBL10175861 0.86 CYP3A4 (0.58) CYP3A4MAPTMEN1KMT2AALDH1A1
SCHEMBL15143761 0.85 CYP3A4 (0.56) CYP3A4MAPTMEN1KMT2AALDH1A1
SCHEMBL14750866 0.84 CYP3A4 (0.78) CYP3A4MAPTMEN1KMT2AALDH1A1
SCHEMBL15143759 0.84 FTO (0.61) CYP3A4MAPTMEN1KMT2AALDH1A1
SCHEMBL15145557 0.83 MAPT (0.70) CYP3A4MAPTMEN1KMT2AALDH1A1
SCHEMBL10103163 0.82 CYP3A4 (0.68) CYP3A4MAPTMEN1KMT2AALDH1A1
SCHEMBL31432985 0.82 CYP3A4 (0.68) CYP3A4MAPTMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2250177-B1 LUMINESCENCE QUENCHERS AND FLUOROGENIC PROBES FOR DETECTION OF REACTIVE SPECIES VERSITECH LTD (CN) 2014-06-18 EP disclosed
US-8114904-B2 Luminescence quenchers and fluorogenic probes for detection of reactive species Versitech Limited & Morningside Ventures Limited (CN) 2012-02-14 US disclosed
US-20090253118-A1 LUMINESCENCE QUENCHERS AND FLUOROGENIC PROBES FOR DETECTION OF REACTIVE SPECIES VERSITECH LIMITED (CN) 2009-10-08 US disclosed
WO-2009121247-A1 LUMINESCENCE QUENCHERS AND FLUOROGENIC PROBES FOR DETECTION OF REACTIVE SPECIES VERSITECH LIMITED (CN) 2009-10-08 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-20090253118-A1 LUMINESCENCE QUENCHERS AND FLUOROGENIC PROBES FOR DETECTION OF REACTIVE SPECIES ROS1, LPO, HMOX1 CYP3A4 508/4885MAPT 4349/4885MEN1 4478/4885

“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.