SCHEMBL13023104

SCHEMBL13023104

Nc1cc(C(=O)Nc2ccc(C#Cc3ccc(F)cc3)cc2)cc(C(=O)Nc2ccc(C#Cc3ccc(F)cc3)cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.58
▸ KMT2A Q03164 5/20 0.58
▸ SNCA P37840 2/20 0.52
▸ NPC1 O15118 3/20 0.51
▸ RAB9A P51151 3/20 0.51
▸ PTPN1 P18031 1/20 0.51
▸ MITF O75030 1/20 0.50
▸ POLB P06746 3/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ APEX1 P27695 1/20 0.47
▸ ATM Q13315 1/20 0.47
▸ F2 P00734 1/20 0.46
▸ PLG P00747 1/20 0.46
▸ PRSS1 P07477 1/20 0.46
▸ PRSS2 P07478 1/20 0.46
▸ PRSS3 P35030 1/20 0.46
▸ ST14 Q9Y5Y6 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.45

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
SCHEMBL13023100 0.88 MEN1 (0.55) MEN1KMT2ASNCANPC1RAB9A
SCHEMBL13023087 0.87 MEN1 (0.50) MEN1KMT2ASNCANPC1RAB9A
SCHEMBL13065669 0.86 PTPN1 (0.70) MEN1KMT2ASNCANPC1RAB9A
SCHEMBL13023110 0.85 TP53 (0.58) MEN1KMT2ASNCANPC1RAB9A
SCHEMBL13023096 0.85 RAB9A (0.56) MEN1KMT2ASNCANPC1RAB9A
SCHEMBL13299906 0.85 MLYCD (0.52) MEN1KMT2ASNCANPC1RAB9A
SCHEMBL2915371 0.82 MEN1 (0.81) MEN1KMT2ASNCANPC1RAB9A
SCHEMBL18146755 0.81 MEN1 (0.55) MEN1KMT2ASNCANPC1RAB9A
SCHEMBL13023046 0.80 MEN1 (0.51) MEN1KMT2ASNCANPC1RAB9A
SCHEMBL13023076 0.79 LMNA (0.63) MEN1KMT2ASNCANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286353-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF FUJIFILM CORPORATION (JP) 2010-11-11 — — 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-20100286353-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF KAT8, HDAC10, SSRP1 MEN1 379/4885KMT2A 583/4885SNCA 2468/4885

“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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