SCHEMBL18986848

SCHEMBL18986848

[N-]=[N+]=Nc1ccnc(CO)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP51A1 Q16850 4/20 0.33
▸ PDE4A P27815 4/20 0.33
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ CA9 Q16790 2/20 0.33
▸ CA4 P22748 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ NOX1 Q9Y5S8 1/20 0.33
▸ GUCY1B2 O75343 1/20 0.32
▸ GUCY1A2 P33402 1/20 0.32
▸ GUCY1A1 Q02108 1/20 0.32
▸ GUCY1B1 Q02153 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ CSNK1D P48730 1/20 0.31
▸ CSNK1E P49674 1/20 0.31
▸ PNMT P11086 1/20 0.31
▸ PTGS2 P35354 1/20 0.30
▸ RAD51 Q06609 1/20 0.30

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
SCHEMBL18986772 0.82 PDE4A (0.33) CYP51A1PDE4ACA1CA2CA9
SCHEMBL18986863 0.82 CYP51A1 (0.36) CYP51A1PDE4ACA1CA2CA9
SCHEMBL27965915 0.80 GABRP (0.41) CYP51A1CA1CA2CA9CYP2C9
SCHEMBL28097360 0.74 RAD51 (0.32) RAD51
SCHEMBL24208362 0.73 SLC6A4 (0.32) PTGS2
SCHEMBL15426999 0.72 UHRF1 (0.45) CYP51A1PDE4ACA1CA2CA9
SCHEMBL18986919 0.70 MEN1 (0.55) RECQL
SCHEMBL28267926 0.68 LOXL2 (0.43) CYP51A1PDE4ACA1CA2CA9
SCHEMBL13541414 0.68 RECQL (0.61) RECQLCSNK1DCSNK1E
SCHEMBL15617804 0.67 NOS1 (0.49) PDE4ATP53GUCY1B2GUCY1A2GUCY1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180355441-A1 VISUAL DETECTION OF PLATINATED DNA LESIONS FROM A CLICKABLE CISPLATIN PROBE USED AS DIAGNOSTIC TOOL OR TO IDENTIFY SYNERGISTIC TREATMENTS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2018-12-13 — — US disclosed
EP-3390420-A1 VISUAL DETECTION OF PLATINATED DNA LESIONS FROM A CLICKABLE CISPLATIN PROBE USED AS DIAGNOSTIC TOOL OR TO IDENTIFY SYNERGISTIC TREATMENTS Centre National De La Recherche Scientifique (FR) 2018-10-24 — — EP disclosed
WO-2017102934-A1 VISUAL DETECTION OF PLATINATED DNA LESIONS FROM A CLICKABLE CISPLATIN PROBE USED AS DIAGNOSTIC TOOL OR TO IDENTIFY SYNERGISTIC TREATMENTS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2017-06-22 — — 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-20180355441-A1 VISUAL DETECTION OF PLATINATED DNA LESIONS FROM A CLICKABLE CISPLATIN PROBE USED AS DIAGNOSTIC TOOL OR TO IDENTIFY SYNERGISTIC TREATMENTS ERCC5, ERCC1, ERCC4 CYP51A1 4829/4885PDE4A 4279/4885CA1 891/4885

“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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