SCHEMBL13022995

SCHEMBL13022995

C#Cc1cc(NC(=O)c2cc(N)cc(N)c2)ccc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
SNCA P37840 2/20 0.46
GRM4 Q14833 1/20 0.42
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41
APEX1 P27695 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TOP1 P11387 1/20 0.41
TOP2A P11388 1/20 0.41
TOP2B Q02880 1/20 0.41
PTGS1 P23219 3/20 0.40
FADS1 O60427 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39

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
SCHEMBL13022955 0.87 SNCA (0.45) NPC1RAB9ASNCALMNAMEN1
SCHEMBL13400510 0.86 MEN1 (0.49) NPC1RAB9AGRM4MEN1KMT2A
SCHEMBL13023067 0.84 SNCA (0.45) NPC1RAB9ASNCALMNAMEN1
SCHEMBL18323173 0.83 NPC1 (0.49) NPC1RAB9ASNCAGRM4LMNA
SCHEMBL13022999 0.80 ALDH1A1 (0.48) NPC1RAB9ALMNAMEN1POLB
SCHEMBL18323190 0.78 ALDH1A1 (0.53) NPC1RAB9AMEN1POLBKMT2A
SCHEMBL13022935 0.78 MEN1 (0.51) NPC1RAB9ASNCALMNAMEN1
SCHEMBL18323168 0.78 BCAT2 (0.54) NPC1RAB9ASNCAMEN1KMT2A
SCHEMBL2714906 0.77 GRM4 (0.43) NPC1RAB9AGRM4LMNAMEN1
SCHEMBL12540695 0.77 MEN1 (0.67) NPC1RAB9ASNCALMNAMEN1

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-20100286353-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF FUJIFILM CORPORATION (JP) 2010-11-11 US disclosed
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 NPC1 1177/4885RAB9A 3465/4885SNCA 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.