SCHEMBL13698943

SCHEMBL13698943

[N-]=[N+]=NCCCCCCCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 3/20 0.55
▸ MIF P14174 3/20 0.55
▸ SIGMAR1 Q99720 9/20 0.48
▸ MAOA P21397 1/20 0.47
▸ MAPT P10636 1/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46
▸ HTR3A P46098 1/20 0.46
▸ MAOB P27338 2/20 0.45

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
SCHEMBL28384138 1.00 NAAA (0.55) NAAAMIFSIGMAR1MAOAMAPT
SCHEMBL26661891 1.00 NAAA (0.55) NAAAMIFSIGMAR1MAOAMAPT
SCHEMBL15994916 1.00 NAAA (0.55) NAAAMIFSIGMAR1MAOAMAPT
SCHEMBL15907593 0.98 MIF (0.53) NAAAMIFSIGMAR1MAOAHTR3A
SCHEMBL13526333 0.92 HTR3A (0.53) NAAAMIFSIGMAR1MAOAHTR3A
SCHEMBL16674489 0.87 ADRB2 (0.49) NAAAMIFMAOB
SCHEMBL13460499 0.83 HIF1A (0.48) MIFMAOAMAPTHTR3AMAOB
SCHEMBL15995452 0.82 MIF (0.38) NAAAMIFSIGMAR1MAOAHTR3A
SCHEMBL17414404 0.82 MIF (0.38) NAAAMIFSIGMAR1MAOAHTR3A
SCHEMBL9819738 0.81 NAAA (0.64) NAAAMIFSIGMAR1MAOAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024140595-A1 TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF 珂阑(上海)医药科技有限公司 2024-07-04 — — WO disclosed
CN-118255685-A Tricyclic compound, pharmaceutical composition and application thereof 珂阑(上海)医药科技有限公司 2024-06-28 — — CN disclosed
US-8450348-B2 Such as 3-[6-(4-Chloro-phenoxy)-hexylamino]-4-(pyridin-4-ylamino)-cyclobut-3-ene-1,2-dione; cancer, tumors; reduced side effects FORMA TM, LLC (US) 2013-05-28 — — US disclosed
EP-2096107-A1 Derivatives of squaric acid with anti-proliferative activity GPC Biotech AG (DE) 2009-09-02 — — EP disclosed
EP-1674457-B1 Derivatives of squaric acid with anti-proliferative activity GPC BIOTECH AG (DE) 2009-06-03 — — EP disclosed
US-20080200523-A1 Derivatives of squaric acid with anti-proliferative activity Valo Health, LLC 2008-08-21 — — US disclosed
US-20080200523-A1 Derivatives of squaric acid with anti-proliferative activity Valo Health, LLC 2008-08-21 — — 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-20080200523-A1 Derivatives of squaric acid with anti-proliferative activity SQLE, FDFT1, DLD NAAA 1312/4885MIF 3551/4885SIGMAR1 4699/4885

“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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