SCHEMBL730573

SCHEMBL730573

N#Cc1nc2ccc(Br)cc2s1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.49
NPC1 O15118 5/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
DYRK1A Q13627 1/20 0.49
APP P05067 3/20 0.48
MAPT P10636 2/20 0.47
ALDH1A1 P00352 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.42
PPARA Q07869 2/20 0.41
ILK Q13418 1/20 0.40
PSMB8 P28062 2/20 0.40

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
SCHEMBL20681327 0.79 DYRK1A (0.42) CYP3A4CYP2C9DYRK1AAPPMAPT
SCHEMBL146303 0.79 SMN1; SMN2 (0.56) RAB9ANPC1APPMAPTALDH1A1
SCHEMBL12872411 0.79 RAB9A (0.56) RAB9ANPC1DYRK1AAPPMAPT
SCHEMBL12312853 0.79 NPC1 (0.56) RAB9ANPC1DYRK1AAPPMAPT
SCHEMBL19190176 0.79 APP (0.44) RAB9ANPC1CYP3A4CYP2C9DYRK1A
SCHEMBL140656 0.79 HTT (0.56) DYRK1AAPPMAPTHTT
SCHEMBL29409281 0.79 HTT (0.56) DYRK1AAPPMAPTHTT
SCHEMBL7548821 0.79 GFER (0.56) RAB9ANPC1CYP1A2CYP3A4CYP2C9
SCHEMBL9796864 0.78 PSMB8 (0.44) RAB9ANPC1CYP3A4DYRK1AAPP
SCHEMBL15950041 0.78 RAB9A (0.41) RAB9ANPC1CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2305690-B1 Signalling compounds for use in methods of detecting hydrogen peroxide LUMIGEN INC (US) 2012-08-29 EP disclosed
US-8137990-B2 Compositions for chemiluminescent detection of hydrogen peroxide LUMIGEN, INC. (US) 2012-03-20 US disclosed
EP-2305690-A1 Signalling compounds for use in methods of detecting hydrogen peroxide LUMIGEN, INC. (US) 2011-04-06 EP disclosed
US-7704752-B2 Signalling compounds for use in methods of detecting hydrogen peroxide LUMIGEN, INC. (US) 2010-04-27 US disclosed
US-20100055800-A1 Compositions for Chemiluminescent Detection of Hydrogen Peroxide LUMIGEN, INC. (US) 2010-03-04 US disclosed
US-20080261318-A1 Signalling Compounds For Use In Methods Of Detecting Hydrogen Peroxide LUMIGEN, INC. (US) 2008-10-23 US disclosed
US-7390670-B2 Signalling compounds and methods for detecting hydrogen peroxide LUMIGEN, INC. (US) 2008-06-24 US disclosed
EP-1594855-A4 SIGNALLING COMPOUNDS FOR USE IN METHODS OF DETECTING HYDROGEN PEROXIDE LUMIGEN INC (US) 2008-04-16 EP disclosed
EP-1594855-A2 SIGNALLING COMPOUNDS FOR USE IN METHODS OF DETECTING HYDROGEN PEROXIDE LUMIGEN, INC. (US) 2005-11-16 EP disclosed
US-6919463-B2 Signalling compounds for use in methods of detecting hydrogen peroxide LUMIGEN, INC. (US) 2005-07-19 US disclosed
WO-2004074810-A2 SIGNALLING COMPOUNDS FOR USE IN METHODS OF DETECTING HYDROGEN PEROXIDE LUMIGEN INC. (US) 2004-09-02 WO disclosed
US-20040171098-A1 Signalling compounds for use in methods of detecting hydrogen peroxide LUMIGEN INC. 2004-09-02 US disclosed
US-20040166539-A1 Signalling compounds and methods for detecting hydrogen peroxide LUMIGEN, INC. 2004-08-26 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-20040171098-A1 Signalling compounds for use in methods of detecting hydrogen peroxide LPO, HAO2, HAO1 RAB9A 3294/4885NPC1 4326/4885CYP1A2 530/4885

“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.