SCHEMBL829498

SCHEMBL829498

CCCCC(N)C(=O)Nc1ccc(N(C)C)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 6/20 0.56
CHEK1 O14757 1/20 0.56
SPHK2 Q9NRA0 1/20 0.55
MAPT P10636 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
ALDH1A1 P00352 2/20 0.55
MAPK1 P28482 2/20 0.55
KDM4E B2RXH2 1/20 0.55
HPGD P15428 1/20 0.55
MCL1 Q07820 1/20 0.55
GAA P10253 1/20 0.54
S1PR1 P21453 5/20 0.51
S1PR3 Q99500 5/20 0.51
S1PR4 O95977 2/20 0.51
S1PR5 Q9H228 2/20 0.51
S1PR2 O95136 1/20 0.51
CA1 P00915 1/20 0.47
CA2 P00918 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
SCHEMBL6290986 0.82 SPHK1 (0.59) SPHK1CHEK1SPHK2MAPTSMN1; SMN2
SCHEMBL23454623 0.82 SPHK1 (0.59) SPHK1CHEK1SPHK2MAPTSMN1; SMN2
SCHEMBL5264997 0.82 MEN1 (0.61) SPHK1CHEK1SPHK2MAPTSMN1; SMN2
SCHEMBL9267426 0.82 MEN1 (0.61) SPHK1CHEK1SPHK2MAPTSMN1; SMN2
SCHEMBL26266218 0.81 SPHK1 (0.68) SPHK1CHEK1SPHK2S1PR1S1PR3
SCHEMBL13107654 0.80 TAAR1 (0.61) SPHK1CHEK1SPHK2MAPTSMN1; SMN2
SCHEMBL10792997 0.79 AAK1 (0.62) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
Hydrochloric Acid SCHEMBL11701716 0.78 AAK1 (0.60) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL7825415 0.77 MAPT (0.43) SPHK1CHEK1SPHK2MAPTSMN1; SMN2
SCHEMBL11669294 0.77 SPHK1 (0.66) SPHK1SPHK2MAPTSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120178783-A1 HDAC INHIBITORS LIXTE BIOTECHNOLOGY, INC. 2012-07-12 US disclosed
US-8143445-B2 HDAC inhibitors LIXTE BIOTECHNOLOGY, INC. (US) 2012-03-27 US disclosed
WO-2009045440-A1 HDAC INHIBITORS LIXTE BIOTECHNOLOGY HOLDINGS, INC. (US) 2009-04-09 WO 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-20120178783-A1 HDAC INHIBITORS HDAC3, HDAC4, HDAC7 SPHK1 939/4885CHEK1 1460/4885SPHK2 901/4885

“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.