SCHEMBL7224907

SCHEMBL7224907

CCN(CC)CC(=O)c1cc(C(=O)c2cccs2)cn1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
TSHR P16473 1/20 0.42
HPGDS O60760 1/20 0.41
PTGS1 P23219 2/20 0.41
PTGS2 P35354 2/20 0.41
ALOX5 P09917 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HTT P42858 1/20 0.39
ALDH1A1 P00352 9/20 0.38
KDM4E B2RXH2 3/20 0.38
MAPT P10636 2/20 0.38
AGTR1 P30556 1/20 0.37
LMNA P02545 2/20 0.37
CYP2C9 P11712 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
POLB P06746 1/20 0.37
PGR P06401 1/20 0.37

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
SCHEMBL7233507 0.92 MEN1 (0.41) HPGDNPC1RAB9ATSHRHPGDS
SCHEMBL7232590 0.83 GSK3B (0.53) HPGDNPC1RAB9ATSHRHPGDS
SCHEMBL7232690 0.76 ACHE (0.43) HPGDNPC1RAB9ATSHRKMT2A
SCHEMBL7225079 0.74 CNR2 (0.51) CNR1CNR2
Hydrochloric Acid SCHEMBL5216380 0.73 KMT2A (0.50) HPGDNPC1RAB9ATSHRHPGDS
SCHEMBL7224950 0.71 MEN1 (0.51) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL11808026 0.69 PGR (0.46) HPGDNPC1RAB9ATSHRHPGDS
SCHEMBL7225639 0.69 ALDH1A1 (0.46) HPGDNPC1RAB9ATSHRKMT2A
SCHEMBL7225284 0.68 HTT (0.41) HTTALDH1A1KDM4EMAPTAGTR1
SCHEMBL10455445 0.66 HPGD (0.65) HPGDNPC1RAB9ATSHRHPGDS

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
US-6573267-B2 Central nervous system disorders ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-06-03 US claimed
US-20020019436-A1 Useful aroyl aminoacyl pyrrole compounds ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-02-14 US claimed
WO-2002002521-A2 AROYL AMINOACYL PYRROLE COMPOUNDS AND THEIR PHARMACEUTICAL USE ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2002-01-10 WO claimed
US-6573267-B2 Central nervous system disorders ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-06-03 US disclosed
US-20020019436-A1 Useful aroyl aminoacyl pyrrole compounds ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-02-14 US disclosed
WO-2002002521-A2 AROYL AMINOACYL PYRROLE COMPOUNDS AND THEIR PHARMACEUTICAL USE ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2002-01-10 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-20020019436-A1 Useful aroyl aminoacyl pyrrole compounds ABAT, GAP43, AADAT HPGD 248/4885NPC1 4708/4885RAB9A 1533/4885

“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.