SCHEMBL10024769

SCHEMBL10024769

C=C(C)C(=O)Nc1cccc2c(N)cccc12

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CDC25B P30305 7/20 0.48
▸ CDC25A P30304 1/20 0.44
▸ CDC25C P30307 1/20 0.44
▸ NPC1 O15118 4/20 0.44
▸ RAB9A P51151 4/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ HSD17B1 P14061 1/20 0.43
▸ HSD17B2 P37059 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ BTK Q06187 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ POLB P06746 1/20 0.40

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
SCHEMBL11737076 0.90 TDP1 (0.51) NPC1RAB9ATDP1ALDH1A1CYP3A4
SCHEMBL13588221 0.83 NPC1 (0.52) NPC1RAB9ATDP1ALDH1A1HPGD
SCHEMBL30000522 0.83 RXFP1 (0.54) CDC25BCDC25ACDC25CNPC1RAB9A
SCHEMBL8001493 0.83 HDAC1 (0.53) NPC1RAB9ATDP1ALDH1A1HPGD
SCHEMBL11315901 0.83 RXFP1 (0.54) CDC25BCDC25ACDC25CNPC1RAB9A
SCHEMBL29642005 0.83 HDAC1 (0.53) NPC1RAB9ATDP1ALDH1A1HPGD
SCHEMBL17084522 0.83 RXFP1 (0.53) NPC1RAB9ATDP1ALDH1A1HPGD
SCHEMBL9359137 0.82 TRPV1 (0.52) CDC25BNPC1RAB9ATDP1HSD17B2
SCHEMBL30369173 0.80 RAB9A (0.61) NPC1RAB9AALDH1A1CYP3A4HPGD
SCHEMBL194202 0.80 RAB9A (0.61) NPC1RAB9AALDH1A1CYP3A4HPGD

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-8722931-B2 Compound and method for preparing the same FUJIFILM CORPORATION (JP) 2014-05-13 — — US disclosed
US-8722931-B2 Compound and method for preparing the same FUJIFILM CORPORATION (JP) 2014-05-13 — — US disclosed
US-20120165572-A1 NOVEL COMPOUND AND METHOD FOR PREPARING THE SAME FUJIFILM CORPORATION (JP) 2012-06-28 — — 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-20120165572-A1 NOVEL COMPOUND AND METHOD FOR PREPARING THE SAME ADCY1, ADCY2, ADCY5 CDC25B 848/4885CDC25A 757/4885CDC25C 894/4885

“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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