SCHEMBL13065664

SCHEMBL13065664

N#Cc1ccc(-c2ccc(NC(=O)c3cc(N)cc(C(=O)Nc4ccc(-c5ccc(C#N)cc5)cc4)c3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.53
▸ SCN10A Q9Y5Y9 1/20 0.53
▸ MLYCD O95822 1/20 0.52
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ EGLN2 Q96KS0 1/20 0.48
▸ PLAU P00749 3/20 0.48
▸ F2 P00734 1/20 0.48
▸ PLG P00747 1/20 0.48
▸ KLKB1 P03952 1/20 0.48
▸ PRSS1 P07477 1/20 0.48
▸ TAS1R3 Q7RTX0 1/20 0.48
▸ TAS1R1 Q7RTX1 1/20 0.48
▸ TAS1R2 Q8TE23 1/20 0.48
▸ SNCA P37840 1/20 0.48
▸ LMNA P02545 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ PKM P14618 1/20 0.47

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
SCHEMBL13299906 0.91 MLYCD (0.52) MLYCDMEN1KMT2ANPC1RAB9A
SCHEMBL13023122 0.82 MLYCD (0.44) KCNH2SCN10AMLYCDMEN1KMT2A
SCHEMBL13065988 0.81 PTPN1 (0.66) MEN1KMT2ASNCALMNAPOLB
SCHEMBL20379456 0.81 MEN1 (0.73) MLYCDMEN1KMT2ANPC1RAB9A
SCHEMBL14825225 0.80 SCN10A (0.60) KCNH2SCN10AMLYCDMEN1KMT2A
SCHEMBL13023046 0.80 MEN1 (0.51) MEN1KMT2ANPC1RAB9ASNCA
SCHEMBL13065669 0.80 PTPN1 (0.70) SCN10AMEN1KMT2ANPC1RAB9A
SCHEMBL13065997 0.80 NPC1 (0.61) MEN1KMT2ANPC1RAB9ASNCA
SCHEMBL13065675 0.80 TP53 (0.63) MEN1KMT2ANPC1RAB9ASNCA
SCHEMBL10952359 0.79 MEN1 (0.74) MEN1KMT2ANPC1RAB9ASNCA

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 KCNH2 3430/4885SCN10A 1241/4885MLYCD 1940/4885

“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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