SCHEMBL1644299

SCHEMBL1644299

COc1cc([N+](=O)[O-])ccc1C#N

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.60
LMNA P02545 5/20 0.56
ALDH1A1 P00352 5/20 0.56
MAPT P10636 1/20 0.56
VCAM1 P19320 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
PKM P14618 1/20 0.50
ESRRA P11474 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
AR P10275 2/20 0.46
EGFR P00533 1/20 0.46
ERBB2 P04626 1/20 0.46
CYP19A1 P11511 1/20 0.45
PTGS2 P35354 1/20 0.45
KDM4E B2RXH2 1/20 0.45
USP2 O75604 1/20 0.45
POLB P06746 1/20 0.45
KMT2A Q03164 1/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 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
SCHEMBL6865120 0.90 ALDH1A1 (0.60) HTTLMNAALDH1A1MAPTVCAM1
SCHEMBL12595068 0.85 AR (0.65) HTTLMNAALDH1A1MAPTVCAM1
SCHEMBL7238168 0.85 HTT (0.62) HTTLMNAALDH1A1MAPTTDP1
SCHEMBL1359566 0.83 HTT (0.60) HTTLMNAALDH1A1MAPTTDP1
SCHEMBL1941060 0.83 VCAM1 (0.50) HTTLMNAALDH1A1MAPTVCAM1
SCHEMBL8567956 0.82 TBXA2R (0.48) HTTLMNAALDH1A1MAPTVCAM1
SCHEMBL9127112 0.81 HTT (0.61) HTTLMNAALDH1A1MAPTTDP1
SCHEMBL10352701 0.80 CYP19A1 (0.55) HTTLMNAALDH1A1MAPTVCAM1
SCHEMBL26926649 0.80 ESRRA (0.54) HTTLMNAALDH1A1MAPTVCAM1
SCHEMBL30676036 0.80 ESRRA (0.54) HTTLMNAALDH1A1MAPTVCAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118054087-B Electrolyte, electrolyte injection method and lithium metal battery 蜂巢能源科技股份有限公司 2024-07-19 CN claimed
CN-118054087-A Electrolyte, electrolyte injection method and lithium metal battery 蜂巢能源科技股份有限公司 2024-05-17 CN claimed
CN-118054087-B Electrolyte, electrolyte injection method and lithium metal battery 蜂巢能源科技股份有限公司 2024-07-19 CN disclosed
CN-118054087-A Electrolyte, electrolyte injection method and lithium metal battery 蜂巢能源科技股份有限公司 2024-05-17 CN disclosed
EP-3517536-B1 AMINOTRIAZINE DERIVATIVES USEFUL AS TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES INC (US) 2021-05-05 EP disclosed
EP-2853532-B1 1,2,4-oxadiazole derivatives as allosteric modulators of metabotropic glutamate receptors belonging to group III INST FARMAKOLOGII POLSKIEJ AKADEMII NAUK (PL) 2020-12-09 EP disclosed
CN-110981800-A Preparation method of lenvatinib 安徽省诚联医药科技有限公司 2020-04-10 CN disclosed
EP-3517536-A1 AMINOTRIAZINE DERIVATIVES USEFUL AS TANK-BINDING KINASE INHIBITOR COMPOUNDS Gilead Sciences, Inc. (US) 2019-07-31 EP disclosed
US-10253019-B2 Tank-binding kinase inhibitor compounds GILEAD SCIENCES, INC. (US) 2019-04-09 US disclosed
US-20180370955-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2018-12-27 US disclosed
US-10040781-B2 Tank-binding kinase inhibitor compounds GILEAD SCIENCES, INC. (US) 2018-08-07 US disclosed
EP-1448187-A2 COMPOUNDS DERIVED FROM AN AMINE NUCLEUS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME Bristol-Myers Squibb Company (US) 2004-08-25 EP disclosed
US-20040077605-A1 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY 2004-04-22 US disclosed
WO-2003062241-A1 FUSED HETEROCYCLIC SUCCINIMIDECOMPOUNDS AND ANALOGS THEREOF, MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-31 WO disclosed
US-6596747-B2 For therapy of diseases associdated with Factor VIIa and or inosine monophosphate dehydrogenase (IMPDH) BRISTOL-MYERS SQUIBB COMPANY 2003-07-22 US disclosed
WO-2003047512-A2 COMPOUNDS DERIVED FROM AN AMINE NUCLEUS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME BRISTOL-MYERS SQUIBB COMPANY (US) 2003-06-12 WO disclosed
US-20020143176-A1 Compounds derived from an amine nucleus and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY 2002-10-03 US disclosed
US-6399773-B1 AUTOIMMUNE DISEASE; TRANSPLANTING ORGANS BRISTOL-MYERS SQUIBB CO. 2002-06-04 US disclosed
EP-1126843-A1 COMPOUNDS DERIVED FROM AN AMINE NUCLEUS THAT ARE INHIBITORS OF IMPDH ENZYME BRISTOL-MYERS SQUIBB COMPANY (US) 2001-08-29 EP disclosed
WO-2000025780-A1 COMPOUNDS DERIVED FROM AN AMINE NUCLEUS THAT ARE INHIBITORS OF IMPDH ENZYME BRISTOL-MYERS SQUIBB COMPANY (US) 2000-05-11 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 (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-20180370955-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS TBKBP1, TNKS1BP1, TNKS HTT 3665/4885LMNA 2240/4885ALDH1A1 4260/4885
US-20040077605-A1 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, NCOA3, NR5A2 HTT 3011/4885LMNA 3449/4885ALDH1A1 3219/4885
US-10253019-B2 Tank-binding kinase inhibitor compounds TBKBP1, TNKS1BP1, TNKS HTT 3665/4885LMNA 2240/4885ALDH1A1 4260/4885
US-10040781-B2 Tank-binding kinase inhibitor compounds TBKBP1, TNKS1BP1, TNKS HTT 3665/4885LMNA 2240/4885ALDH1A1 4260/4885
US-20020143176-A1 Compounds derived from an amine nucleus and pharmaceutical compositions comprising same IMPDH1, IMPDH2, IMPA1 HTT 4257/4885LMNA 417/4885ALDH1A1 71/4885

“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.