SCHEMBL6689216

SCHEMBL6689216

c1ccc2c(c1)[nH]c1cnnnc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
GPR3 P46089 1/20 0.48
HSD17B10 Q99714 1/20 0.48
GABRA1 P14867 4/20 0.46
GABRG2 P18507 4/20 0.46
GABRB3 P28472 4/20 0.46
GABRA5 P31644 4/20 0.46
GABRA3 P34903 4/20 0.46
GABRA2 P47869 4/20 0.46
GABRP O00591 3/20 0.46
GABRD O14764 3/20 0.46
GABRB1 P18505 3/20 0.46
GABRB2 P47870 3/20 0.46
GABRA4 P48169 3/20 0.46
GABRE P78334 3/20 0.46
GABRA6 Q16445 3/20 0.46
GABRG1 Q8N1C3 3/20 0.46
GABRG3 Q99928 3/20 0.46
GABRQ Q9UN88 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.44

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
SCHEMBL29506294 1.00 ALDH1A1 (0.48) ALDH1A1GPR3HSD17B10GABRA1GABRG2
SCHEMBL2461988 0.78 CDK4 (0.53) ALDH1A1GPR3HSD17B10GABRA1GABRG2
SCHEMBL31609494 0.74 ALDH1A1 (0.50) ALDH1A1GPR3HSD17B10GABRA1GABRG2
SCHEMBL4934675 0.74 ALDH1A1 (0.50) ALDH1A1GPR3HSD17B10GABRA1GABRG2
SCHEMBL31485824 0.73 ALDH1A1 (0.48) ALDH1A1GPR3HSD17B10GABRA1GABRG2
SCHEMBL1521622 0.72 MAPT (0.58) ALDH1A1GPR3HSD17B10GABRA1GABRG2
SCHEMBL602244 0.71 ALDH1A1 (0.64) ALDH1A1GPR3HSD17B10GABRA1GABRG2
SCHEMBL2391060 0.69 GABRA1 (0.53) ALDH1A1GPR3HSD17B10GABRA1GABRG2
Carbazole SCHEMBL16505004 0.69 ALDH1A1 (0.67) ALDH1A1GPR3HSD17B10GABRA1GABRG2
SCHEMBL4147114 0.69 MAPT (0.36) ALDH1A1GPR3HSD17B10SMN1; SMN2KDM4E

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004096808-A1 TRIAZINE COMPOUNDS AND THEIR USE DE NOVO PHARMACEUTICALS LIMITED (GB) 2004-11-11 WO claimed
EP-3551183-B1 INHIBITORS OF MECHANOTRANSDUCTION TO TREAT PAIN AND MODULATE TOUCH PERCEPTION MAX DELBRUECK CENTRUM FUER MOLEKULARE MEDIZIN HELMHOLTZ GEMEINSCHAFT (DE) 2025-08-20 EP disclosed
US-9447103-B2 Inauhzin analogues that induce P53, inhibit cell growth, and have antitumor activity INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORPORATION (US) 2016-09-20 US disclosed
US-20150197522-A1 INAUHZIN ANALOGUES THAT INDUCE P53, INHIBIT CELL GROWTH, AND HAVE ANTITUMOR ACTIVITY INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORP. (US) 2015-07-16 US disclosed
WO-2014018953-A1 INAUHZIN ANALOGUES THAT INDUCE P53, INHIBIT CELL GROWTH, AND HAVE ANTITUMOR ACTIVITY INDIANA UNIVERSITY RESARCH AND TECHNOLOGY CORPORATION (US) 2014-01-30 WO disclosed
EP-2536410-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS Merck Sharp & Dohme Corp. (US) 2012-12-26 EP disclosed
WO-2012135149-A9 SMALL MOLECULE MODULATORS OF SIRT1 ACTIVITY ACTIVATE P53 AND SUPPRESS TUMOR GROWTH INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2012-11-22 WO disclosed
WO-2012135149-A2 SMALL MOLECULE MODULATORS OF SIRT1 ACTIVITY ACTIVATE P53 AND SUPPRESS TUMOR GROWTH INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2012-10-04 WO disclosed
WO-2004096808-A1 TRIAZINE COMPOUNDS AND THEIR USE DE NOVO PHARMACEUTICALS LIMITED (GB) 2004-11-11 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 (1 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-20150197522-A1 INAUHZIN ANALOGUES THAT INDUCE P53, INHIBIT CELL GROWTH, AND HAVE ANTITUMOR ACTIVITY TP53, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NOP58 ALDH1A1 2127/4885GPR3 4113/4885HSD17B10 3940/4885

“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.