SCHEMBL4989809

SCHEMBL4989809

O=Cc1coc2ccc(F)cc12

nearest known ligand 0.78

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 9/20 0.78
▸ KDM4E B2RXH2 2/20 0.54
▸ HTT P42858 1/20 0.54
▸ MAOA P21397 7/20 0.47
▸ MAOB P27338 7/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ GLA P06280 1/20 0.47
▸ PTPN2 P17706 1/20 0.46
▸ MEN1 O00255 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ POLB P06746 1/20 0.41

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
SCHEMBL29951299 0.88 PTPN1 (1.00) PTPN1KDM4EHTTMAOAMAOB
SCHEMBL13978663 0.88 PTPN1 (1.00) PTPN1KDM4EHTTMAOAMAOB
SCHEMBL15898959 0.78 PTPN1 (0.78) PTPN1MAOAMAOBKMT2APTPN2
SCHEMBL15951253 0.78 PTPN1 (0.78) PTPN1HTTMAOAMAOBKMT2A
SCHEMBL28564467 0.77 PTPN1 (0.77) PTPN1KDM4EHTTMAOAMAOB
SCHEMBL17107553 0.77 PTPN1 (0.50) PTPN1KDM4EHTTMAOAMAOB
SCHEMBL28119069 0.75 PTPN1 (0.48) PTPN1KDM4EHTTMAOAMAOB
SCHEMBL4010077 0.73 PTPN1 (0.81) PTPN1MAOAMAOBKMT2APTPN2
SCHEMBL30842883 0.72 PTPN1 (0.75) PTPN1KDM4EMAOAMAOBKMT2A
SCHEMBL96940 0.72 PTPN1 (0.75) PTPN1KDM4EMAOAMAOBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7368472-B2 1,2,4-Triaminobenzene derivatives useful for treating disorders of the central nervous system H. LUNDBECK A/S (DK) 2008-05-06 — — US disclosed
EP-1578740-B1 1,2,4-TRIAMINOBENZENE DERIVATIVES USEFUL FOR TREATING DISORDERS OF THE CENTRAL NERVOUS SYSTEM LUNDBECK & CO AS H (DK) 2007-03-21 — — EP disclosed
US-20060014822-A1 1,2,4-Triaminobenzene derivatives useful for treating disorders of the central nervous system H. LUNDBECK A/S (DK) 2006-01-19 — — US disclosed
EP-1578740-A1 1,2,4-TRIAMINOBENZENE DERIVATIVES USEFUL FOR TREATING DISORDERS OF THE CENTRAL NERVOUS SYSTEM H. Lundbeck A/S (DK) 2005-09-28 — — EP disclosed
WO-2004058739-A1 1,2,4-TRIAMINOBENZENE DERIVATIVES USEFUL FOR TREATING DISORDERS OF THE CENTRAL NERVOUS SYSTEM H. LUNDBECK A/S (DK) 2004-07-15 — — 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-20060014822-A1 1,2,4-Triaminobenzene derivatives useful for treating disorders of the central nervous system PMP22, GRIN2B, AVPR1B PTPN1 1378/4885KDM4E 4049/4885HTT 524/4885

“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.

Send feedback