SCHEMBL1094100

SCHEMBL1094100

O=c1ccc2nc3ccc(Cc4ccccc4)cc3oc-2c1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
APP P05067 13/20 0.59
CYP1A2 P05177 1/20 0.55
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ALPL P05186 1/20 0.40
POLB P06746 1/20 0.40
ALPI P09923 1/20 0.40
MAPT P10636 1/20 0.40
ALPG P10696 1/20 0.40
RECQL P46063 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40
HSD17B10 Q99714 1/20 0.39
LMNA P02545 1/20 0.38
GPR119 Q8TDV5 1/20 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
SCHEMBL1093926 0.86 APP (0.60) APPCYP1A2KDM4EMEN1ALDH1A1
SCHEMBL7004388 0.85 APP (0.76) APPCYP1A2POLBRAB9AKMT2A
SCHEMBL10167845 0.82 APP (0.68) APPCYP1A2KDM4EMEN1ALDH1A1
SCHEMBL563769 0.82 APP (0.66) APPCYP1A2KDM4EMEN1ALDH1A1
SCHEMBL19627054 0.80 APP (0.54) APPCYP1A2
SCHEMBL29809000 0.80 APP (0.79) APPCYP1A2MEN1RAB9AKMT2A
SCHEMBL563335 0.80 APP (0.79) APPCYP1A2MEN1RAB9AKMT2A
SCHEMBL10208641 0.80 APP (0.64) APPCYP1A2KDM4EMEN1ALDH1A1
SCHEMBL563608 0.80 APP (0.63) APPCYP1A2KDM4EMEN1ALDH1A1
SCHEMBL1072207 0.79 APP (0.74) APPCYP1A2MEN1POLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106544399-B Application of high-specificity fluorescent probe for detecting cytochrome P4501A1 苏州尚稷电子科技有限公司 2020-04-03 CN disclosed
US-8153828-B2 Optical molecular sensors for cytochrome P450 activity Life Technologies Corporation (US) 2012-04-10 US disclosed
US-20100105095-A1 Optical Molecular Sensors for Cytochrome P450 Activity Life Technologies Corporation (US) 2010-04-29 US disclosed
US-20090239761-A1 Protein arrays and uses thereof SENSE PROTEOMIC LIMITED (GB) 2009-09-24 US disclosed
US-20080125586-A1 Optical molecular sensors for cytochrome P450 activity INVITROGEN CORPORATION (US) 2008-05-29 US disclosed
US-20070072256-A1 OPTICAL MOLECULAR SENSORS FOR CYTOCHROME P450 ACTIVITY INVITROGEN CORPORATION 2007-03-29 US disclosed
US-7132252-B2 Comprises fluorophores selected from 7-hydroxycoumarin derivtives, resorufin, and a fluorescein; drug screening INVITROGEN CORPORATION (US) 2006-11-07 US disclosed
US-20060199220-A1 Protein arrays and uses thereof BLACKBURN JONATHAN M 2006-09-07 US disclosed
US-6638713-B2 Measurement of cytochrome enzymatic activity; obtain sample containing cytochrome, incubate with labeled substrate, monitor adjustments in optical signal, compare to control, quantify AURORA BIOSCIENCES CORPORATION 2003-10-28 US disclosed
US-20030186349-A1 Optical molecular sensors for cytochrome P450 activity Life Technologies Corporation 2003-10-02 US disclosed
EP-1140888-B1 OPTICAL MOLECULAR SENSORS FOR CYTOCHROME P450 ACTIVITY VERTEX PHARMA SAN DIEGO LLC (US) 2003-05-14 EP disclosed
US-20030027238-A1 Optical molecular sensors for cytochrome P450 activity Life Technologies Corporation 2003-02-06 US disclosed
US-6514687-B1 Screening a candidate compound for activity as a Cytochrome P450 enzyme substrate by contacting the compound, enzyme, and a reagent chromogen comprising the ether of a phenolic dye such as a coumarin, resofurin or fluorescein dye VERTEX PHARMACEUTICALS (SAN DIEGO), LLC 2003-02-04 US disclosed
US-6420130-B1 CHEMICAL COMPOUND FOR USE IN THE DETECTION OF PREFERENTIAL ENZYMATIC POLYPEPTIDE AURORA BIOSCIENCES CORPORATION 2002-07-16 US disclosed
EP-1140888-A1 OPTICAL MOLECULAR SENSORS FOR CYTOCHROME P450 ACTIVITY Aurora Biosciences Corporation (US) 2001-10-10 EP disclosed
US-6143492-A COMPOUND USEFUL AS AN OPTICAL PROBE; DRUG SCREENING AURORA BIOSCIENCES CORPORATION (US) 2000-11-07 US disclosed
WO-2000035900-A1 OPTICAL MOLECULAR SENSORS FOR CYTOCHROME P450 ACTIVITY AURORA BIOSCIENCES CORPORATION (US) 2000-06-22 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-20100105095-A1 Optical Molecular Sensors for Cytochrome P450 Activity CYP2J2, CYP1A2, CYP2B6 APP 3233/4885CYP1A2 2/4885KDM4E 1411/4885
US-20080125586-A1 Optical molecular sensors for cytochrome P450 activity CYP2J2, CYP1A2, CYP2B6 APP 3233/4885CYP1A2 2/4885KDM4E 1411/4885

“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.