SCHEMBL1249470

SCHEMBL1249470

O=C(O)c1ccc(-c2nn[nH]n2)cc1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
XDH P47989 10/20 0.69
ADH5 P11766 1/20 0.67
RPA1 P27694 1/20 0.58
ATM Q13315 1/20 0.58
TP53 P04637 2/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
HPGDS O60760 1/20 0.51
GPR35 Q9HC97 1/20 0.51

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
SCHEMBL12203130 0.93 XDH (0.66) XDHADH5RPA1ATMTP53
SCHEMBL12203133 0.90 XDH (0.61) XDHADH5RPA1ATM
SCHEMBL1249134 0.86 XDH (0.78) XDHADH5GPR35
SCHEMBL12203132 0.86 ADH5 (0.63) XDHADH5RPA1ATMTP53
SCHEMBL1250214 0.84 EPHX2 (0.56) XDHADH5TP53GPR35
SCHEMBL7350821 0.83 MEN1 (0.62) XDH
SCHEMBL9984638 0.83 ADH5 (0.95) XDHADH5RPA1ATMTP53
SCHEMBL17963197 0.83 XDH (0.67) XDHADH5RPA1ATMTP53
SCHEMBL6040548 0.83 XDH (0.96) XDHADH5RPA1ATMTP53
SCHEMBL17208852 0.82 ADH5 (0.75) XDHADH5RPA1ATMTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025059469-A1 SUBSTITUTED AMINOPYRIDINE COMPOUNDS AS AKT INHIBITORS ATAVISTIK BIO, INC. (US) 2025-03-20 WO disclosed
US-20230365598-A1 DEFLUORINATION OF ORGANO-FLUORINE MOLECUELS BY RARE-EARTH IONS RESULTING IN FLUORO-BRIDGED METAL-ORGANIC FRAMEWORKS UNIV TEXAS (US) 2023-11-16 US disclosed
US-20230365598-A1 DEFLUORINATION OF ORGANO-FLUORINE MOLECUELS BY RARE-EARTH IONS RESULTING IN FLUORO-BRIDGED METAL-ORGANIC FRAMEWORKS UNIV TEXAS (US) 2023-11-16 US disclosed
US-10752643-B2 Tunable rare-earth fcu-metal-organic frameworks KING ABDULLAH UNIVERSITY OF SCIENCE AND TECHNOLOGY (SA) 2020-08-25 US disclosed
US-10752643-B2 Tunable rare-earth fcu-metal-organic frameworks KING ABDULLAH UNIVERSITY OF SCIENCE AND TECHNOLOGY (SA) 2020-08-25 US disclosed
US-10703767-B2 2020-07-07 US disclosed
US-10703767-B2 2020-07-07 US disclosed
US-20190185491-A1 TUNABLE RARE-EARTH FCU-METAL-ORGANIC FRAMEWORKS KING ABDULLAH UNIVERSITY OF SCIENCE AND TECHNOLOGY (SA) 2019-06-20 US disclosed
US-10253048-B2 Tunable rare-earth fcu-metal-organic frameworks KING ABDULLAH UNIVERSITY OF SCIENCE AND TECHNOLOGY (SA) 2019-04-09 US disclosed
US-10253048-B2 Tunable rare-earth fcu-metal-organic frameworks KING ABDULLAH UNIVERSITY OF SCIENCE AND TECHNOLOGY (SA) 2019-04-09 US disclosed
EP-1585541-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING INSULIN AND LEGENDS OF INSULIN HEXAMER NOVO NORDISK A/S (DK) 2005-10-19 EP disclosed
US-20050065066-A1 comprising insulin and novel ligands for the HisB10 Zn2+ sites of the R-state insulin hexamer; physical and chemical stability NOVO NORDISK A/S (DK) 2005-03-24 US disclosed
CN-1558762-A Novel ligands for the HisB10 Zn2+ sites of the R-state insulin hexamer ŵ��Ų�ڿ˹�˾ 2004-12-29 CN disclosed
WO-2004100946-A1 1- (2H-PYRAZOL -3-YL) -3YL) {4-`1- (BENZOYL) -PIPERIDIN-4-YLMETHYL!-PHENYL}-UREA DERIVATIVES AND RELATED COMPOUNDS AS INHBITORS OF P38 KINASE AND/OR TNF INHIBITORS FOR THE TREATMENT OF IMFLAMMATIONS AVENTIS PHARMACEUTICALS INC. (US) 2004-11-25 WO disclosed
WO-2004080481-A1 NOVEL NPH INSULIN PREPARATIONS NOVO NORDISK A/S (DK) 2004-09-23 WO disclosed
WO-2004080480-A1 PHARMACEUTICAL PREPARATIONS COMPRISING ACID-STABILISED INSULIN NOVO NORDISK A/S (DK) 2004-09-23 WO disclosed
WO-2004056347-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING INSULIN AND LEGENDS OF INSULIN HEXAMER NOVO NORDISK A/S (DK) 2004-07-08 WO disclosed
EP-1429763-A2 NOVEL LIGANDS FOR THE HisB10 Zn2+ SITES OF THE R-STATE INSULIN HEXAMER NOVO NORDISK A/S (DK) 2004-06-23 EP disclosed
US-20030229120-A1 Novel ligands for the hisb10 zn2+ sites of the r-state insulin hexamer NOVO NORDISK A/S (DK) 2003-12-11 US disclosed
WO-2003027081-A2 NOVEL LIGANDS FOR THE HisB10 Zn2+ SITES OF THE R-STATE INSULIN HEXAMER NOVO NORDISK A/S (DK) 2003-04-03 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 (7 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-20190185491-A1 TUNABLE RARE-EARTH FCU-METAL-ORGANIC FRAMEWORKS ORC3, POF1B, MB XDH 3061/4885ADH5 4263/4885RPA1 218/4885
US-10253048-B2 Tunable rare-earth fcu-metal-organic frameworks HNRNPU, FES, MCU XDH 3919/4885ADH5 4276/4885RPA1 948/4885
US-10703767-B2 MB, ORC3, OR10J3 XDH 2663/4885ADH5 4154/4885RPA1 540/4885
US-20030229120-A1 Novel ligands for the hisb10 zn2+ sites of the r-state insulin hexamer IAPP, IRS1, GPR119 XDH 4061/4885ADH5 4662/4885RPA1 560/4885
US-20230365598-A1 DEFLUORINATION OF ORGANO-FLUORINE MOLECUELS BY RARE-EARTH IONS RESULTING IN FLUORO-BRIDGED METAL-ORGANIC FRAMEWORKS PFAS, MIA3, FUBP3 XDH 3343/4885ADH5 1000/4885RPA1 2184/4885
US-10752643-B2 Tunable rare-earth fcu-metal-organic frameworks ORC3, POF1B, MB XDH 3061/4885ADH5 4263/4885RPA1 218/4885
US-20050065066-A1 comprising insulin and novel ligands for the HisB10 Zn2+ sites of the R-state insulin hexamer; physical and chemical stability IAPP, IRS1, INSR XDH 4464/4885ADH5 4777/4885RPA1 984/4885

“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.