SCHEMBL444778

SCHEMBL444778

N=c1[nH]c2ccccc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.50
KDM4E B2RXH2 7/20 0.50
HSD17B10 Q99714 4/20 0.50
PSMB8 P28062 3/20 0.50
MAPT P10636 2/20 0.50
CYP3A4 P08684 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
GRIN2D O15399 1/20 0.50
GRIN3B O60391 1/20 0.50
GRIN1 Q05586 1/20 0.50
GRIN2A Q12879 1/20 0.50
GRIN2B Q13224 1/20 0.50
GRIN2C Q14957 1/20 0.50
GRIN3A Q8TCU5 1/20 0.50
GPR3 P46089 2/20 0.45
AHR P35869 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 2/20 0.38
GAA P10253 2/20 0.38
HPGD P15428 2/20 0.38

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
SCHEMBL7169724 0.97 ALDH1A1 (0.50) ALDH1A1KDM4EHSD17B10PSMB8MAPT
Iodide SCHEMBL11713121 0.97 ALDH1A1 (0.48) ALDH1A1KDM4EHSD17B10PSMB8MAPT
Bromide SCHEMBL11714912 0.97 ALDH1A1 (0.48) ALDH1A1KDM4EHSD17B10PSMB8MAPT
SCHEMBL3418278 0.79 ALDH1A1 (0.52) ALDH1A1KDM4EHSD17B10MAPTCYP3A4
SCHEMBL11142745 0.75 PARP1 (0.63) ALDH1A1KDM4EHSD17B10MAPTTDP1
SCHEMBL4957425 0.69 ALDH1A1 (0.56) ALDH1A1KDM4EHSD17B10PSMB8MAPT
SCHEMBL19451945 0.68 KIF11 (0.42) ALDH1A1KDM4EHSD17B10PSMB8MAPT
Aminacrine SCHEMBL1040669 0.67 ALDH1A1 (0.68) ALDH1A1KDM4EHSD17B10MAPTGPR3
SCHEMBL239920 0.67 KDM4E (1.00) ALDH1A1KDM4EHSD17B10PSMB8MAPT
2-Mercaptobenzimidazole SCHEMBL29360590 0.67 ALDH1A1 (1.00) ALDH1A1KDM4EHSD17B10PSMB8MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3841060-A1 METHODS FOR THE DEGRADATION OF SF6 Westfälische Wilhelms-Universität Münster (DE) 2021-06-30 EP claimed
WO-2019077086-A1 METHODS FOR THE DEGRADATION OF SF6 Westfälische Wilhelms-Universität Münster (DE) 2019-04-25 WO claimed
US-11472813-B2 OX2R compounds BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2022-10-18 US disclosed
WO-2022117051-A1 MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 北京鞍石生物科技有限责任公司 2022-06-09 WO disclosed
EP-3841060-A1 METHODS FOR THE DEGRADATION OF SF6 Westfälische Wilhelms-Universität Münster (DE) 2021-06-30 EP disclosed
US-20210093717-A1 BENZAMIDE AND ACTIVE COMPOUND COMPOSITIONS AND METHODS OF USE TRANSLATIONAL DRUG DEVELOPMENT, LLC 2021-04-01 US disclosed
US-10927083-B2 Substituted benzimidazoles as inhibitors of transforming growth factor-β kinase DUKE UNIVERSITY (US) 2021-02-23 US disclosed
US-10881733-B2 Benzamide and active compound compositions and methods of use TRANSLATIONAL DRUG DEVELOPMENT, LLC (US) 2021-01-05 US disclosed
US-10807966-B2 Heterocyclic compounds as kinase inhibitors TRANSLATIONAL DRUG DEVELOPMENT, LLC (US) 2020-10-20 US disclosed
US-10780080-B2 Benzamide and active compound compositions and methods of use TRANSLATIONAL DRUG DEVELOPMENT, LLC (US) 2020-09-22 US disclosed
US-20200255448-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS TRANSLATIONAL DRUG DEVELOPMENT, LLC 2020-08-13 US disclosed
US-20050245592-A1 2-Iminopyrrolidine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-03 US disclosed
US-20050004197-A1 2-iminoimidazole derivatives (2) EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-01-06 US disclosed
US-20050004204-A1 2-Iminopyrrolidine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-01-06 US disclosed
US-20040242627-A1 2-Iminoimidazole derivatives (1) EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-12-02 US disclosed
EP-1394152-A1 2-IMINOIMIDAZOLE DERIVATIVES (1) Eisai Co., Ltd. (JP) 2004-03-03 EP disclosed
EP-1391456-A1 2-IMINOIMIDAZOLE DERIVATIVE (2) Eisai Co., Ltd. (JP) 2004-02-25 EP disclosed
EP-1391451-A1 2-IMINOPYRROLIDINE DERIVATES Eisai Co., Ltd. (JP) 2004-02-25 EP disclosed
US-4355004-A HYPOGLYCEMIC ACTIVITY BEECHAM GROUP LIMITED (GB) 1982-10-19 US disclosed
EP-0028883-A2 Benzimidazoline derivatives, processes for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1981-05-20 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 (11 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-20050004197-A1 2-iminoimidazole derivatives (2) H1-2, H1-3, H1-4 ALDH1A1 417/4885KDM4E 2817/4885HSD17B10 650/4885
US-10807966-B2 Heterocyclic compounds as kinase inhibitors MAP3K1, MAP3K20, MAP3K5 ALDH1A1 2699/4885KDM4E 849/4885HSD17B10 2886/4885
US-20210093717-A1 BENZAMIDE AND ACTIVE COMPOUND COMPOSITIONS AND METHODS OF USE CD274, PDCD1, PDCD1LG2 ALDH1A1 911/4885KDM4E 113/4885HSD17B10 4251/4885
US-20050245592-A1 2-Iminopyrrolidine derivatives H1-2, H1-3, H1-0 ALDH1A1 443/4885KDM4E 3161/4885HSD17B10 1858/4885
US-20050004204-A1 2-Iminopyrrolidine derivatives H1-2, H1-3, H1-0 ALDH1A1 437/4885KDM4E 3132/4885HSD17B10 1874/4885
US-10927083-B2 Substituted benzimidazoles as inhibitors of transforming growth factor-β kinase TAB1, TGFBR1, CHUK ALDH1A1 2581/4885KDM4E 954/4885HSD17B10 3788/4885
US-20040242627-A1 2-Iminoimidazole derivatives (1) H1-2, H1-0, H1-3 ALDH1A1 165/4885KDM4E 1039/4885HSD17B10 1236/4885
US-10881733-B2 Benzamide and active compound compositions and methods of use PDCD1, CD274, PDCD1LG2 ALDH1A1 880/4885KDM4E 75/4885HSD17B10 4230/4885
US-11472813-B2 OX2R compounds HCRTR2, HCRTR1, OXTR ALDH1A1 3475/4885KDM4E 1812/4885HSD17B10 1507/4885
US-20200255448-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS MAP3K1, MAP3K20, MAP3K5 ALDH1A1 2699/4885KDM4E 849/4885HSD17B10 2886/4885
US-10780080-B2 Benzamide and active compound compositions and methods of use TNFRSF1A, TNFRSF9, CD40 ALDH1A1 1502/4885KDM4E 2443/4885HSD17B10 4151/4885

“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.