SCHEMBL5738288

SCHEMBL5738288

O=C1[C@@H]2CCCN2C(=O)N1c1cccc2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.62
HTR1A P08908 2/20 0.60
DDAH1 O94760 1/20 0.59
ALDH1A1 P00352 2/20 0.51
MAPT P10636 2/20 0.51
PKM P14618 1/20 0.51
HPGD P15428 1/20 0.51
HSD17B10 Q99714 1/20 0.51
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
HTT P42858 1/20 0.46
POLB P06746 1/20 0.45

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
SCHEMBL11717686 0.82 DDAH1 (0.53) ARHTR1ADDAH1ALDH1A1MAPT
SCHEMBL13879527 0.80 ALDH1A1 (0.57) ARALDH1A1MAPTHSD17B10KMT2A
SCHEMBL5740144 0.79 LMNA (0.54) ARHTR1AALDH1A1MAPTKMT2A
SCHEMBL13879410 0.78 KDM4E (0.57) ARHTR1AALDH1A1HSD17B10KMT2A
SCHEMBL5738846 0.78 AR (0.53) ARHTR1AALDH1A1MAPTKMT2A
SCHEMBL6095733 0.77 AR (1.00) ARHTR1AALDH1A1MAPTKMT2A
SCHEMBL5806481 0.77 DDAH1 (0.48) ARHTR1ADDAH1ALDH1A1MAPT
SCHEMBL5740339 0.76 KMT2A (0.72) ARALDH1A1KMT2AMEN1POLB
SCHEMBL13879486 0.76 ALDH1A1 (0.56) ARALDH1A1MAPTHSD17B10KMT2A
SCHEMBL13879455 0.74 KDM4E (0.56) ARALDH1A1HSD17B10KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1244670-B1 HYDANTOIN DERIVATIVE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USING SAME MGI GP INC (US) 2006-03-08 EP claimed
US-20020058685-A1 Hydantoin derivative compounds, pharmace utical compositions, and methods of using same GLIAMED, INC. 2002-05-16 US claimed
EP-1244670-B1 HYDANTOIN DERIVATIVE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USING SAME MGI GP INC (US) 2006-03-08 EP disclosed
US-6974823-B2 Hydantoin derivative compounds, pharmaceutical compositions, and methods of using same GPI NIL HOLDINDGS, INC. (US) 2005-12-13 US disclosed
US-20030203890-A1 Method for treating nerve injury caused as a result of surgery NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2003-10-30 US disclosed
US-20020058685-A1 Hydantoin derivative compounds, pharmace utical compositions, and methods of using same GLIAMED, INC. 2002-05-16 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 (2 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-20030203890-A1 Method for treating nerve injury caused as a result of surgery NGF, BDNF, GAP43 AR 447/4885HTR1A 1606/4885DDAH1 2066/4885
US-20020058685-A1 Hydantoin derivative compounds, pharmace utical compositions, and methods of using same HNMT, HAAO, HTR3E AR 2055/4885HTR1A 103/4885DDAH1 3902/4885

“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.