SCHEMBL2812669

SCHEMBL2812669

Cc1cc(C(=O)c2cc(C)c(N)c(N)c2)cc(N)c1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.47
MAPT P10636 3/20 0.47
LMNA P02545 3/20 0.43
NPC1 O15118 2/20 0.43
MITF O75030 1/20 0.43
POLB P06746 1/20 0.43
ALDH1A1 P00352 4/20 0.42
HTT P42858 2/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.41
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 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
SCHEMBL3941966 0.88 ALDH1A1 (0.50) TDP1MAPTLMNANPC1MITF
SCHEMBL1509519 0.84 KDM4E (0.48) TDP1MAPTLMNANPC1ALDH1A1
SCHEMBL2807784 0.80 MAPT (0.56) TDP1MAPTLMNANPC1MITF
SCHEMBL637391 0.79 KDM4E (0.53) TDP1MAPTLMNANPC1POLB
SCHEMBL6390145 0.77 ALDH1A1 (0.56) TDP1MAPTLMNANPC1MITF
SCHEMBL8284687 0.77 CA12 (0.55) MAPTLMNANPC1ALDH1A1GAA
SCHEMBL436565 0.73 LMNA (0.56) TDP1MAPTLMNANPC1MITF
SCHEMBL13783388 0.73 MAPT (0.76) TDP1MAPTLMNANPC1MITF
SCHEMBL2811367 0.73 HSD11B1 (0.43) MAPTLMNAPOLBALDH1A1HTT
SCHEMBL20628703 0.72 MAPT (0.68) TDP1MAPTLMNANPC1MITF

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-20100240908-A1 ACETYLENE COMPOUND FUJIFILM CORPORATION (JP) 2010-09-23 US disclosed
EP-2202221-A1 ACETYLENE COMPOUND Fujifilm Corporation (JP) 2010-06-30 EP 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-20100240908-A1 ACETYLENE COMPOUND NAT1, KATNA1, KAT2B TDP1 4533/4885MAPT 4057/4885LMNA 1650/4885

“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.