SCHEMBL2419604

SCHEMBL2419604

COc1ccc2nc(S)oc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 5/20 0.54
TLR4 O00206 1/20 0.48
XDH P47989 1/20 0.48
NLRP3 Q96P20 1/20 0.48
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 2/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA3 P07451 1/20 0.46
AKR1B1 P15121 1/20 0.46
HPGD P15428 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA5A P35218 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CA14 Q9ULX7 1/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46

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
SCHEMBL28874507 0.87 NPC1 (0.51) APPTLR4XDHNLRP3ALDH1A1
SCHEMBL29879187 0.87 NPC1 (0.51) APPTLR4XDHNLRP3ALDH1A1
SCHEMBL29593205 0.86 ALDH1A1 (0.46) KDM4EALDH1A1CA12CA1CA3
SCHEMBL1656100 0.86 ALDH1A1 (0.46) KDM4EALDH1A1CA12CA1CA3
SCHEMBL9306595 0.81 F2RL3 (0.46) APPKDM4EALDH1A1HPGDHSD17B10
SCHEMBL7975021 0.81 APP (0.57) APPKDM4EALDH1A1CA12CA1
SCHEMBL22382386 0.81 APP (0.60) APPF2RL3
SCHEMBL6791597 0.80 APP (0.59) APPTLR4XDHNLRP3KDM4E
SCHEMBL17153954 0.79 GLA (0.54) APPKDM4EALDH1A1CA12HPGD
SCHEMBL558021 0.79 PIK3CG (0.56) APPTLR4XDHNLRP3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4587200-A Photopolymerizable composition comprising an acridine and a heterocyclic thiol compound as a photopolymerization initiator and a photographic process using said photopolymerizable composition FUJI PHOTO FILM CO., LTD. (JP) 1986-05-06 US claimed
US-20240409533-A1 HMOX1 INDUCERS Astellas Engineered Small Molecules US, Incorporated 2024-12-12 US disclosed
CN-113874074-B HMOX1 inducers 米托布里奇公司 2024-11-01 CN disclosed
US-12071433-B2 HMOX1 inducers Astellas Engineered Small Molecules US, Incorporated (US) 2024-08-27 US disclosed
US-20240051952-A1 HMOX1 INDUCERS Astellas Engineered Small Molecules US, Incorporated 2024-02-15 US disclosed
US-20220177460-A1 HMOX1 INDUCERS Astellas Engineered Small Molecules US, Incorporated 2022-06-09 US disclosed
US-20220177460-A1 HMOX1 INDUCERS Astellas Engineered Small Molecules US, Incorporated 2022-06-09 US disclosed
EP-3952990-A1 HMOX1 INDUCERS Mitobridge, Inc. (US) 2022-02-16 EP disclosed
CN-113874074-A HMOX1 inducers 米托布里奇公司 2021-12-31 CN disclosed
CN-104530037-B Triazine heterocyclic compound with nematicidal activity and preparation method and application thereof 华东理工大学 2020-12-18 CN disclosed
EP-0660830-A1 BENZOXAZOLE AND BEZOTHIAZOLE DERIVATIVES ZENECA LIMITED (GB) 1995-07-05 EP disclosed
EP-0621271-A1 Benzoxazole derivatives and their use as serotonin 5-HT3 receptor antagonists MEIJI SEIKA KAISHA LTD. (JP) 1994-10-26 EP disclosed
US-5347008-A Thio(cyclo) alkanepolycarboxylic acids containing heterocyclic substituents CIBA-GEIGY CORPORATION (US) 1994-09-13 US disclosed
WO-1994006782-A1 BENZOXAZOLE AND BEZOTHIAZOLE DERIVATIVES ZENECA LIMITED (GB) 1994-03-31 WO disclosed
US-5273988-A 2-(3,4,4,-trifluorobutenylmercapto) alkoxy or nitro benzoxazoyl compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-12-28 US disclosed
EP-0532722-A1 BENZOXAIOLE DERIVATIVES ZENECA LIMITED (GB) 1993-03-24 EP disclosed
WO-1992017463-A1 BENZOXAIOLE DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-10-15 WO disclosed
EP-0507464-A1 Benzoxazole derivatives ZENECA LIMITED (GB) 1992-10-07 EP disclosed
US-4587200-A Photopolymerizable composition comprising an acridine and a heterocyclic thiol compound as a photopolymerization initiator and a photographic process using said photopolymerizable composition FUJI PHOTO FILM CO., LTD. (JP) 1986-05-06 US disclosed
EP-0129506-A2 Heterocyclically substituted thio(cyclo)alkane polycarboxylic acids CIBA-GEIGY AG (CH) 1984-12-27 EP 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 (4 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-20240409533-A1 HMOX1 INDUCERS HMOX1, HMOX2, HMBS APP 3212/4885TLR4 1903/4885XDH 97/4885
US-12071433-B2 HMOX1 inducers HMOX1, HMOX2, HMBS APP 3020/4885TLR4 1852/4885XDH 82/4885
US-20240051952-A1 HMOX1 INDUCERS HMOX1, HMOX2, QSOX1 APP 2576/4885TLR4 1312/4885XDH 63/4885
US-20220177460-A1 HMOX1 INDUCERS HMOX1, HMOX2, HMBS APP 3020/4885TLR4 1852/4885XDH 82/4885

“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.