SCHEMBL2932418

SCHEMBL2932418

O=C(O)c1ccc2[nH]c(Nc3nc4ccccc4s3)nc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.54
PTP4A3 O75365 1/20 0.48
NPC1 O15118 5/20 0.48
RAB9A P51151 5/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
SCD O00767 3/20 0.47
MAPT P10636 2/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
TOP1 P11387 2/20 0.46
KDM4E B2RXH2 3/20 0.44
NFKB1 P19838 2/20 0.44
NFKB2 Q00653 2/20 0.44
RELA Q04206 2/20 0.44
HTT P42858 1/20 0.44
GAA P10253 2/20 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
SCHEMBL15261276 0.88 MEN1 (0.52) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL12686845 0.87 NPC1 (0.45) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL14151235 0.81 NPC1 (0.57) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL2931584 0.80 AKR1C3 (0.46) AKR1C3NPC1RAB9AMEN1KMT2A
SCHEMBL2929452 0.80 AKR1C3 (0.71) AKR1C3NPC1RAB9AMEN1KMT2A
SCHEMBL2924726 0.80 CSNK2A1 (0.60) AKR1C3NPC1RAB9AMEN1KMT2A
SCHEMBL15277719 0.79 MAP4K4 (0.49) NPC1RAB9ASMN1; SMN2TOP1DYRK1A
SCHEMBL2932310 0.77 TOP1 (0.52) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL2932046 0.76 AKR1C3 (0.47) AKR1C3NPC1RAB9AMEN1KMT2A
SCHEMBL15274893 0.76 PTGER3 (0.42) NPC1RAB9AMEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2992880-A1 Use of heme oxygenase 1 inducers and cannabinoid 2 receptor or delta-opioid receptor agonists in inflammatory pain Fundació Institut de Recerca de l'Hospital de la Santa Creu l Sant Pau (ES) 2016-03-09 EP claimed
US-10888569-B1 Methods and compositions for treating cancer THE UNIVERSITY OF CHICAGO (US) 2021-01-12 US disclosed
US-9707239-B2 Compounds that modulate oxidative stress VTV THERAPEUTICS LLC (US) 2017-07-18 US disclosed
US-20170189411-A9 Compounds That Modulate Oxidative Stress VTV THERAPEUTICS LLC 2017-07-06 US disclosed
US-20170056413-A1 Compounds That Modulate Oxidative Stress VTV THERAPEUTICS LLC (US) 2017-03-02 US disclosed
US-9447468-B2 Compounds that modulate oxidative stress VTV THERAPEUTICS LLC (US) 2016-09-20 US disclosed
EP-2992880-A1 Use of heme oxygenase 1 inducers and cannabinoid 2 receptor or delta-opioid receptor agonists in inflammatory pain Fundació Institut de Recerca de l'Hospital de la Santa Creu l Sant Pau (ES) 2016-03-09 EP disclosed
US-20130253007-A1 Compounds That Modulate Oxidative Stress HIGH POINT PHARMACEUTICALS, LLC (US) 2013-09-26 US disclosed
US-8377983-B2 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors TRANSTECH PHARMA, INC. (US) 2013-02-19 US disclosed
US-7820821-B2 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors TRANSTECH PHARMA, INC. (US) 2010-10-26 US disclosed
US-20100152170-A1 Benzazole Derivatives, Compositions, And Methods Of Use As Aurora Kinase Inhibitors TRANSTECH PHARMA, INC. (US) 2010-06-17 US disclosed
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors VTVX HOLDINGS I LLC 2007-09-20 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 (5 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-20170189411-A9 Compounds That Modulate Oxidative Stress TXNRD2, GPX4, TXN2 AKR1C3 338/4885PTP4A3 2259/4885NPC1 1064/4885
US-20170056413-A1 Compounds That Modulate Oxidative Stress TXNRD2, GPX4, TXN2 AKR1C3 338/4885PTP4A3 2259/4885NPC1 1064/4885
US-20100152170-A1 Benzazole Derivatives, Compositions, And Methods Of Use As Aurora Kinase Inhibitors AURKC, AURKA, AURKB AKR1C3 944/4885PTP4A3 2539/4885NPC1 653/4885
US-10888569-B1 Methods and compositions for treating cancer BACH1, BCOR, BCCIP AKR1C3 2850/4885PTP4A3 3442/4885NPC1 1918/4885
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB AKR1C3 944/4885PTP4A3 2539/4885NPC1 653/4885

“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.