SCHEMBL13333434

SCHEMBL13333434

C/C(Cc1c[nH]c2ccccc12)=N/O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.55
▸ KMT2A Q03164 6/20 0.55
▸ ALDH1A1 P00352 5/20 0.55
▸ MAPT P10636 4/20 0.55
▸ KDM4E B2RXH2 4/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ HPGD P15428 2/20 0.55
▸ CYP3A4 P08684 3/20 0.55
▸ AHR P35869 1/20 0.55
▸ GPR84 Q9NQS5 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55
▸ PKM P14618 2/20 0.54
▸ LMNA P02545 2/20 0.53
▸ SLC6A2 P23975 2/20 0.53
▸ FNTA P49354 1/20 0.53
▸ FNTB P49356 1/20 0.53
▸ TSHR P16473 2/20 0.51
▸ CYP2C19 P33261 2/20 0.51
▸ HSD17B10 Q99714 2/20 0.51
▸ CYP2D6 P10635 2/20 0.51

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
SCHEMBL1854707 1.00 MEN1 (0.55) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL9531242 0.82 MEN1 (0.62) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL874981 0.80 MEN1 (0.55) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL837741 0.80 MEN1 (0.55) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL468399 0.79 MEN1 (0.68) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL29629485 0.79 MEN1 (0.68) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL4628084 0.79 MEN1 (0.58) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL24098360 0.79 MEN1 (0.48) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL3800701 0.78 MEN1 (0.56) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL3800702 0.78 MEN1 (0.56) MEN1KMT2AALDH1A1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338473-B2 Derivatives of psammaplin A, a method for their synthesis and their uses for the prevention or treatment of cancer CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-12-25 — — US disclosed
US-20100120885-A1 Novel Derivatives of Psammaplin A, A Method For Their Synthesis And Their Uses For The Prevention Or Treatment Of Cancer RADBOUND UNIVERSITY NIJMEGEN (NL) 2010-05-13 — — 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-20100120885-A1 Novel Derivatives of Psammaplin A, A Method For Their Synthesis And Their Uses For The Prevention Or Treatment Of Cancer PSAP, PSAT1, SPAG5 MEN1 1036/4885KMT2A 3858/4885ALDH1A1 2602/4885

“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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