SCHEMBL18986919

SCHEMBL18986919

[N-]=[N+]=Nc1ccnc(CN2C(=O)c3ccccc3C2=O)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ PKM P14618 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ MAPT P10636 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ CYP1B1 Q16678 2/20 0.40
▸ TYR P14679 1/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ GABRA1 P14867 1/20 0.37
▸ GABRG2 P18507 1/20 0.37
▸ GABRB3 P28472 1/20 0.37
▸ GABRA5 P31644 1/20 0.37
▸ GABRA3 P34903 1/20 0.37
▸ GRM5 P41594 3/20 0.37
▸ CASP3 P42574 1/20 0.36

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
SCHEMBL17293770 0.75 MEN1 (0.64) MEN1ALDH1A1PKMKMT2AMAPT
SCHEMBL29774137 0.75 MEN1 (0.64) MEN1ALDH1A1PKMKMT2AMAPT
SCHEMBL15211966 0.75 MEN1 (0.64) MEN1ALDH1A1PKMKMT2AMAPT
SCHEMBL4413578 0.75 KMT2A (0.64) MEN1ALDH1A1PKMKMT2AMAPT
SCHEMBL2959641 0.72 ALDH1A1 (1.00) MEN1ALDH1A1PKMKMT2AMAPT
SCHEMBL30711693 0.72 ALDH1A1 (1.00) MEN1ALDH1A1PKMKMT2AMAPT
SCHEMBL4411556 0.71 KMT2A (0.59) MEN1ALDH1A1PKMKMT2AMAPT
SCHEMBL15212310 0.71 ALDH1A1 (0.59) MEN1ALDH1A1PKMKMT2AMAPT
SCHEMBL18986772 0.70 PDE4A (0.33) —
SCHEMBL18986863 0.70 CYP51A1 (0.36) —

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 MEN1 1623/4885ALDH1A1 3917/4885PKM 3433/4885

“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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