SCHEMBL14340571

SCHEMBL14340571

C=Cc1ccc(N=[N+]=[N-])cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.50
▸ CA1 P00915 2/20 0.44
▸ CA2 P00918 2/20 0.44
▸ CA9 Q16790 2/20 0.44
▸ CA5A P35218 1/20 0.44
▸ CA5B Q9Y2D0 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ TSHR P16473 1/20 0.39
▸ CYP51A1 Q16850 3/20 0.38
▸ PTGS2 P35354 3/20 0.35
▸ PSMB8 P28062 1/20 0.35
▸ RAD51 Q06609 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.34
▸ NOX1 Q9Y5S8 1/20 0.34
▸ CHRNB2 P17787 1/20 0.34
▸ CHRNB4 P30926 1/20 0.34
▸ CHRNA3 P32297 1/20 0.34
▸ CHRNA7 P36544 1/20 0.34
▸ CHRNA4 P43681 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.33

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
SCHEMBL23854165 0.81 CA1 (0.47) CA1CA2CA9CA5ACA5B
SCHEMBL13882617 0.81 CA1 (0.47) CA1CA2CA9CA5ACA5B
SCHEMBL16748959 0.80 CA1 (0.58) CA1CA2CA9CA5ACA5B
SCHEMBL20954188 0.78 CYP51A1 (0.43) CA1CA2CA9CA5ACA5B
SCHEMBL13475881 0.77 CA1 (0.48) ALDH1A1CA1CA2CA9CA5A
SCHEMBL19714967 0.77 CA1 (0.44) CA1CA2CA9CA5ACA5B
SCHEMBL30002551 0.76 CA1 (0.52) ALDH1A1CA1CA2CA9CA5A
SCHEMBL28837942 0.76 CA1 (0.42) CA1CA2CA9CA5ACA5B
SCHEMBL17870933 0.75 TP53 (0.44) ALDH1A1CA1CA2CA9CA5A
SCHEMBL20954189 0.75 KMT2A (0.48) ALDH1A1CA1CA2CA9TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1990541-B Crosslinkable compositions, process for their preparation and their use LANXESS DEUTSCHLAND GMBH 2012-06-20 — — CN claimed
CN-1990541-A Crosslinkable compositions, process for their preparation and their use LANXESS DEUTSCHLAND GMBH (DE) 2007-07-04 — — CN claimed
EP-4519385-A2 BIOLUMINESCENCE-TRIGGERED PHOTOCATALYTIC LABELING PROMEGA CORPORATION (US) 2025-03-12 — — EP disclosed
US-20240191211-A1 BIOLUMINESCENCE-TRIGGERED PHOTOCATALYTIC LABELING PROMEGA CORPORATION 2024-06-13 — — US disclosed
WO-2023215514-A2 BIOLUMINESCENCE-TRIGGERED PHOTOCATALYTIC LABELING PROMEGA CORPORATION (US) 2023-11-09 — — WO disclosed
CN-113582993-B Condensed polycyclic compound containing triazahydronaphthalene structure and preparation method and application thereof 广州大学 2022-04-19 — — CN disclosed
US-20140114086-A1 Clinprost, Isocarbacyclin And Analogs Thereof And Methods Of Making The Same THE UNIVERSITY OF NORTH CAROLINA AT GREENSBORO 2014-04-24 — — US disclosed
US-20140114086-A1 Clinprost, Isocarbacyclin And Analogs Thereof And Methods Of Making The Same THE UNIVERSITY OF NORTH CAROLINA AT GREENSBORO 2014-04-24 — — US disclosed
CN-1990541-B Crosslinkable compositions, process for their preparation and their use LANXESS DEUTSCHLAND GMBH 2012-06-20 — — CN disclosed
EP-1865012-A1 PHOTOSENSITIVE RESIN, PHOTOSENSITIVE COMPOSITION AND PHOTOCROSSLINKED ITEM Toyo Gosei Kogyo Co., Ltd. (JP) 2007-12-12 — — EP disclosed
WO-2007136638-A2 PROSTAGLANDIN TRANSPORTER INHIBITORS ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2007-11-29 — — WO disclosed
CN-1990541-A Crosslinkable compositions, process for their preparation and their use LANXESS DEUTSCHLAND GMBH (DE) 2007-07-04 — — CN 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-20140114086-A1 Clinprost, Isocarbacyclin And Analogs Thereof And Methods Of Making The Same PTGIS, CRH, PTGIR ALDH1A1 2556/4885CA1 1383/4885CA2 639/4885

“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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