SCHEMBL492622

SCHEMBL492622

N#Cc1nc2ccc(OCc3ccccc3)cc2s1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.66
CA12 O43570 1/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
CA7 P43166 1/20 0.59
CA9 Q16790 1/20 0.59
MAOB P27338 2/20 0.52
SCD O00767 1/20 0.50
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
ALOX5 P09917 1/20 0.48
KCNH2 Q12809 1/20 0.46
CSF1R P07333 2/20 0.46
MAPT P10636 2/20 0.46
HPGD P15428 2/20 0.46
CYP2D6 P10635 1/20 0.45
IP6K1 Q92551 1/20 0.45
IMPDH2 P12268 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL12336483 0.92 CYP3A4 (0.56) CYP3A4CA12CA1CA2CA7
SCHEMBL492368 0.90 CYP3A4 (0.59) CYP3A4CA12CA1CA2CA7
SCHEMBL906628 0.88 CYP3A4 (0.61) CYP3A4CA12CA1CA2CA7
SCHEMBL12336473 0.87 CYP3A4 (0.60) CYP3A4CA12CA1CA2CA7
SCHEMBL492858 0.87 CYP3A4 (0.50) CYP3A4CA12CA1CA2CA7
SCHEMBL12312848 0.87 CYP3A4 (0.60) CYP3A4CA12CA1CA2CA7
SCHEMBL12312849 0.87 CYP3A4 (0.60) CYP3A4CA12CA1CA2CA7
SCHEMBL492847 0.87 CSF1R (0.60) CYP3A4CA12CA1CA2CA7
SCHEMBL12957921 0.87 CYP3A4 (0.51) CYP3A4CA12CA1CA2CA7
SCHEMBL906848 0.87 CYP3A4 (0.51) CYP3A4CA12CA1CA2CA7

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10408819-B2 Luminescence-based methods and probes for measuring cytochrome P450 activity PROMEGA CORPORATION (US) 2019-09-10 US disclosed
US-9814787-B2 Luciferin amides UNIVERSITY OF MASSACHUSETTS (US) 2017-11-14 US disclosed
US-9814787-B2 Luciferin amides UNIVERSITY OF MASSACHUSETTS (US) 2017-11-14 US disclosed
US-9814787-B2 Luciferin amides UNIVERSITY OF MASSACHUSETTS (US) 2017-11-14 US disclosed
EP-2545041-B1 BIOLUMINESCENT ASSAYS USING CYANOBENZOTHIAZOLE COMPOUNDS PROMEGA CORP (US) 2017-08-02 EP disclosed
US-20170191985-A1 LUMINESCENCE-BASED METHODS AND PROBES FOR MEASURING CYTOCHROME P450 ACTIVITY JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2017-07-06 US disclosed
US-9574223-B2 Luminescence-based methods and probes for measuring cytochrome P450 activity PROMEGA CORPORATION (US) 2017-02-21 US disclosed
US-20160279268-A1 Luciferin Amides UNIVERSITY OF MASSACHUSETTS 2016-09-29 US disclosed
US-20160279268-A1 Luciferin Amides UNIVERSITY OF MASSACHUSETTS 2016-09-29 US disclosed
US-20160279268-A1 Luciferin Amides UNIVERSITY OF MASSACHUSETTS 2016-09-29 US disclosed
US-20110223625-A1 BIOLUMINESCENT ASSAYS USING CYANOBENZOTHIAZOLE COMPOUNDS PROMEGA CORPORATION (US) 2011-09-15 US disclosed
US-20110223625-A1 BIOLUMINESCENT ASSAYS USING CYANOBENZOTHIAZOLE COMPOUNDS PROMEGA CORPORATION (US) 2011-09-15 US disclosed
EP-1546162-B1 LUMINESCENCE-BASED METHODS AND PROBES FOR MEASURING CYTOCHROME P450 ACTIVITY PROMEGA CORP (US) 2011-06-22 EP disclosed
US-20110003316-A1 LUMINESCENCE-BASED METHODS AND PROBES FOR MEASURING CYTOCHROME P450 ACTIVITY PROMEGA CORPORATION (US) 2011-01-06 US disclosed
US-7692022-B2 Using luciferin derivatives for analyzing metabolic activity in animals, cells or in cell-free reaction formulations PROMEGA CORPORATION (US) 2010-04-06 US disclosed
US-20090023173-A1 Luminescence-based methods and probes for measuring cytochrome P450 activity PROMEGA CORPORATION (US) 2009-01-22 US disclosed
EP-1546162-A4 LUMINESCENCE-BASED METHODS AND PROBES FOR MEASURING CYTOCHROME P450 ACTIVITY PROMEGA CORP (US) 2007-07-18 EP disclosed
EP-1546162-A2 LUMINESCENCE-BASED METHODS AND PROBES FOR MEASURING CYTOCHROME P450 ACTIVITY PROMEGA CORPORATION (US) 2005-06-29 EP disclosed
US-20040171099-A1 Using luciferin derivatives for analyzing metabolic activity in animals, cells or in cell-free reaction formulations PROMEGA CORPORATION 2004-09-02 US disclosed
WO-2004027378-A2 LUMINESCENCE-BASED METHODS AND PROBES FOR MEASURING CYTOCHROME P450 ACTIVITY PROMEGA CORPORATION (US) 2004-04-01 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 (3 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-20090023173-A1 Luminescence-based methods and probes for measuring cytochrome P450 activity CYP3A43, CYP3A7, CYP3A5 CYP3A4 18/4885CA12 3269/4885CA1 2908/4885
US-20160279268-A1 Luciferin Amides FAAH, FAAH2, MGLL CYP3A4 1336/4885CA12 3272/4885CA1 2029/4885
US-10408819-B2 Luminescence-based methods and probes for measuring cytochrome P450 activity CYP3A7, CYP3A43, CYP3A5 CYP3A4 22/4885CA12 3167/4885CA1 2799/4885

“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.