SCHEMBL1233175

SCHEMBL1233175

NC(=O)CCCCC(CCc1c[nH]c2ccccc12)C(N)=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
MAPT P10636 3/20 0.52
GAA P10253 1/20 0.52
KDM4E B2RXH2 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MPO P05164 4/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CYP1A2 P05177 3/20 0.48
CYP3A4 P08684 3/20 0.48
CYP2D6 P10635 3/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TP53 P04637 1/20 0.48
ALOX15 P16050 1/20 0.48
ALOX12 P18054 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CYP2A6 P11509 1/20 0.48
NFKB1 P19838 1/20 0.48

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
SCHEMBL2378991 0.84 ALDH1A1 (0.69) ALDH1A1MAPTGAAKDM4EL3MBTL1
SCHEMBL2379635 0.83 ALDH1A1 (0.67) ALDH1A1MAPTGAAKDM4EL3MBTL1
SCHEMBL4092371 0.82 ALDH1A1 (0.75) ALDH1A1MAPTGAAKDM4EL3MBTL1
SCHEMBL664283 0.81 MAPT (0.70) ALDH1A1MAPTGAAMPOMEN1
SCHEMBL29053759 0.80 MAPT (0.68) ALDH1A1MAPTGAAMPOMEN1
SCHEMBL23249644 0.78 ALDH1A1 (0.55) ALDH1A1MAPTGAAKDM4EL3MBTL1
SCHEMBL7602497 0.78 MAPT (0.59) ALDH1A1MAPTGAAKDM4EL3MBTL1
SCHEMBL28931928 0.75 ALDH1A1 (0.56) ALDH1A1MAPTGAAKDM4EL3MBTL1
SCHEMBL1233177 0.75 MEN1 (0.81) ALDH1A1MAPTMEN1KMT2ACYP1A2
SCHEMBL10990213 0.74 KDM4E (0.58) ALDH1A1MAPTKDM4EL3MBTL1MPO

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-20110105572-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN AMIDE LINKAGE AS HDAC INHIBITORS TOPOTARGET UK LIMITED (GB) 2011-05-05 US disclosed
US-7880020-B2 e.g trichlorostatin A; antiproliferative agent; for treating cancer and psoriasis TOPOTARGET UK LIMITED (GB) 2011-02-01 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-20110105572-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN AMIDE LINKAGE AS HDAC INHIBITORS HDAC1, HDAC7, HDAC5 ALDH1A1 692/4885MAPT 2818/4885GAA 1661/4885

“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.