SCHEMBL403839

SCHEMBL403839

NC(=NO)c1ccc2[nH]ccc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.65
CYP3A4 P08684 1/20 0.65
MAPT P10636 1/20 0.65
CYP2C19 P33261 1/20 0.65
RAB9A P51151 1/20 0.65
F2 P00734 1/20 0.64
USP2 O75604 1/20 0.48
GAA P10253 1/20 0.48
ALOX15 P16050 1/20 0.48
RAD51 Q06609 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CTNNB1 P35222 4/20 0.46
WNT3A P56704 4/20 0.46
GRIN2D O15399 1/20 0.45
GRIN3B O60391 1/20 0.45
GRIN1 Q05586 1/20 0.45
GRIN2A Q12879 1/20 0.45
GRIN2B Q13224 1/20 0.45
GRIN2C Q14957 1/20 0.45
GRIN3A Q8TCU5 1/20 0.45

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
SCHEMBL2416081 1.00 CYP1A2 (0.65) CYP1A2CYP3A4MAPTCYP2C19RAB9A
SCHEMBL4398964 0.86 F2 (0.64) CYP1A2CYP3A4MAPTCYP2C19RAB9A
SCHEMBL10300683 0.86 ENPP2 (0.56) CYP1A2CYP3A4MAPTCYP2C19RAB9A
SCHEMBL1608999 0.86 ENPP2 (0.56) CYP1A2CYP3A4MAPTCYP2C19RAB9A
Hydrochloric Acid SCHEMBL4403840 0.84 F2 (0.62) CYP1A2CYP3A4MAPTCYP2C19RAB9A
SCHEMBL1467448 0.79 RAB9A (0.65) CYP1A2CYP3A4MAPTCYP2C19RAB9A
SCHEMBL1467450 0.79 RAB9A (0.65) CYP1A2CYP3A4MAPTCYP2C19RAB9A
SCHEMBL29858415 0.78 F2 (0.68) CYP1A2CYP3A4MAPTCYP2C19RAB9A
SCHEMBL29540009 0.78 F2 (0.68) CYP1A2CYP3A4MAPTCYP2C19RAB9A
SCHEMBL563181 0.78 F2 (1.00) CYP1A2CYP3A4MAPTCYP2C19RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12234229-B2 Sphingosine kinase inhibitor amidoxime prodrugs UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2025-02-25 US disclosed
US-20230050649-A1 SPHINGOSINE KINASE INHIBITOR AMIDOXIME PRODRUGS UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2023-02-16 US disclosed
CN-113173917-B 1-alkyl-5-tetrazolyl/pyrimidone-1H-indole-3-carbonitrile compound and preparation method and application thereof 沈阳药科大学 2022-04-08 CN disclosed
US-11180489-B2 Sphingosine kinase inhibitor amidoxime prodrugs U niversity of Virginia Patent Foundation (US) 2021-11-23 US disclosed
EP-3436451-B1 SPHINGOSINE KINASE INHIBITOR AMIDOXIME PRODRUGS UNIV VIRGINIA PATENT FOUNDATION (US) 2021-09-29 EP disclosed
CN-113173917-A 1-alkyl-5-tetrazolyl/pyrimidone-1H-indole-3-carbonitrile compound and preparation method and application thereof 沈阳药科大学 2021-07-27 CN disclosed
US-20200308159-A1 SPHINGOSINE KINASE INHIBITOR AMIDOXIME PRODRUGS SPHYNKX THERAPEUTICS, LLC 2020-10-01 US disclosed
EP-3436451-A1 SPHINGOSINE KINASE INHIBITOR AMIDOXIME PRODRUGS University Of Virginia Patent Foundation (US) 2019-02-06 EP disclosed
US-10100022-B2 Sphingosine kinase inhibitors UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2018-10-16 US disclosed
EP-2250165-B1 TRIAZOLE OXADIAZOLES DERIVATIVES MERCK SERONO SA (CH) 2018-07-25 EP disclosed
EP-2376484-A1 OXADIAZOLE FUSED HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF MULTIPLE SCLEROSIS Merck Serono S.A. (CH) 2011-10-19 EP disclosed
US-20110230518-A1 OXADIAZOLE FUSED HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF MULTIPLE SCLEROSIS MERCK SERONO S.A. (CH) 2011-09-22 US disclosed
EP-2091949-B1 INDOLE DERIVATIVES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LTD (GB) 2011-05-18 EP disclosed
US-20100305092-A1 TRIAZOLE OXADIAZOLES DERIVATIVES MERCK SERONO SA (CH) 2010-12-02 US disclosed
EP-2250165-A1 TRIAZOLE OXADIAZOLES DERIVATIVES Merck Serono S.A. (CH) 2010-11-17 EP disclosed
EP-2206710-A1 Indole derivatives as S1P1 receptor agonists Glaxo Group Limited (GB) 2010-07-14 EP disclosed
WO-2010069949-A1 OXADIAZOLE FUSED HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF MULTIPLE SCLEROSIS MERCK SERONO S.A. (CH) 2010-06-24 WO disclosed
US-20100113796-A1 INDOLE DERIVATIVES AS S1P1 RECEPTOR GLAXO GROUP LIMITED 2010-05-06 US disclosed
CN-101611033-A Indole derivatives as S1P1 receptor agonists GLAXO GROUP LTD (GB) 2009-12-23 CN disclosed
WO-2009080663-A1 TRIAZOLE OXADIAZOLES DERIVATIVES MERCK SERONO S.A. (CH) 2009-07-02 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 (8 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-12234229-B2 Sphingosine kinase inhibitor amidoxime prodrugs SPHK1, SPHK2, S1PR2 CYP1A2 646/4885CYP3A4 1581/4885MAPT 3732/4885
US-20200308159-A1 SPHINGOSINE KINASE INHIBITOR AMIDOXIME PRODRUGS SPHK1, SPHK2, S1PR2 CYP1A2 646/4885CYP3A4 1581/4885MAPT 3732/4885
US-20100305092-A1 TRIAZOLE OXADIAZOLES DERIVATIVES OXA1L, RO60, PDCD11 CYP1A2 543/4885CYP3A4 1008/4885MAPT 2478/4885
US-20100113796-A1 INDOLE DERIVATIVES AS S1P1 RECEPTOR S1PR1, S1PR3, S1PR2 CYP1A2 772/4885CYP3A4 1569/4885MAPT 2930/4885
US-10100022-B2 Sphingosine kinase inhibitors SPHK1, SPHK2, S1PR2 CYP1A2 2021/4885CYP3A4 3072/4885MAPT 686/4885
US-20230050649-A1 SPHINGOSINE KINASE INHIBITOR AMIDOXIME PRODRUGS SPHK1, SPHK2, S1PR2 CYP1A2 646/4885CYP3A4 1581/4885MAPT 3732/4885
US-20110230518-A1 OXADIAZOLE FUSED HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF MULTIPLE SCLEROSIS PMP22, AQP4, NDUFS3 CYP1A2 1477/4885CYP3A4 2138/4885MAPT 877/4885
US-11180489-B2 Sphingosine kinase inhibitor amidoxime prodrugs SPHK1, SPHK2, S1PR2 CYP1A2 646/4885CYP3A4 1581/4885MAPT 3732/4885

“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.