SCHEMBL4544258

SCHEMBL4544258

O=[N+]([O-])c1ccc(-c2c3nc(cc4ccc(cc5nc(cc6ccc2[nH]6)C=C5)[nH]4)C=C3)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.57
▸ STAT1 P42224 1/20 0.57
▸ NPC1 O15118 5/20 0.43
▸ MAPT P10636 5/20 0.43
▸ RAB9A P51151 5/20 0.43
▸ MMP2 P08253 4/20 0.43
▸ MMP9 P14780 4/20 0.43
▸ MMP8 P22894 4/20 0.43
▸ MMP13 P45452 3/20 0.43
▸ HTT P42858 3/20 0.43
▸ CASP3 P42574 2/20 0.43
▸ SENP8 Q96LD8 2/20 0.43
▸ SENP7 Q9BQF6 2/20 0.43
▸ SENP6 Q9GZR1 2/20 0.43
▸ ENPP2 Q13822 1/20 0.40
▸ TOP1 P11387 3/20 0.39
▸ CYCS P99999 3/20 0.39
▸ CYP19A1 P11511 1/20 0.38
▸ NPBWR1 P48145 6/20 0.38
▸ SMN1; SMN2 Q16637 4/20 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
SCHEMBL1861247 0.91 STAT1 (0.53) STAT3STAT1NPC1MAPTRAB9A
SCHEMBL5011944 0.91 STAT3 (0.53) STAT3STAT1NPC1MAPTRAB9A
SCHEMBL10719623 0.87 STAT3 (0.57) STAT3STAT1NPC1MAPTRAB9A
SCHEMBL28554885 0.84 STAT3 (0.57) STAT3STAT1NPC1MAPTRAB9A
SCHEMBL28554189 0.84 STAT3 (0.54) STAT3STAT1NPC1MAPTRAB9A
SCHEMBL8186746 0.83 STAT3 (0.55) STAT3STAT1NPC1MAPTRAB9A
SCHEMBL8186744 0.83 STAT3 (0.55) STAT3STAT1NPC1MAPTRAB9A
SCHEMBL28002967 0.83 MAPT (0.46) NPC1MAPTRAB9AMMP2MMP9
SCHEMBL29405657 0.81 ENPP2 (0.57) NPC1MAPTRAB9AMMP2MMP9
SCHEMBL11327076 0.81 ENPP2 (0.57) NPC1MAPTRAB9AMMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115254026-B Bismuth-based adsorption chlorine removal material and preparation method and application thereof 邯郸市赵都精细化工有限公司 2023-12-22 — — CN claimed
CN-115254026-A Bismuth-based adsorption dechlorination material and preparation method and application thereof 邯郸市赵都精细化工有限公司 2022-11-01 — — CN claimed
CN-115254026-B Bismuth-based adsorption chlorine removal material and preparation method and application thereof 邯郸市赵都精细化工有限公司 2023-12-22 — — CN disclosed
CN-115254026-A Bismuth-based adsorption dechlorination material and preparation method and application thereof 邯郸市赵都精细化工有限公司 2022-11-01 — — CN disclosed
CN-102417510-A Conjugated Schiff base Zn (zinc) porphyrin as well as preparation and application thereof UNIV NORTHWEST NORMAL 2012-04-18 — — CN disclosed
US-8071760-B2 Boron-containing porphyrin compounds and their uses BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2011-12-06 — — US disclosed
US-20090318680-A1 Boron-Containing Porphyrin Compounds and Their Uses BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE 2009-12-24 — — US disclosed
US-5539100-A Organic solid state switches incorporating porphyrin compounds and method for producing organic solid state optical switches THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES DEPARTMENT OF ENERGY (US) 1996-07-23 — — US 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-20090318680-A1 Boron-Containing Porphyrin Compounds and Their Uses HMBS, HCCS, PPOX STAT3 3344/4885STAT1 3758/4885NPC1 540/4885

“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.

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