SCHEMBL1377323

SCHEMBL1377323

CCCCN1C(=O)C(=C(SC)SC)C(=O)c2cccnc21

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.40
ALDH1A1 P00352 4/20 0.39
ALDH2 P05091 1/20 0.39
ALDH3A1 P30838 1/20 0.39
MAPT P10636 3/20 0.39
CES1 P23141 2/20 0.39
CDC25A P30304 1/20 0.39
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.37
RXFP1 Q9HBX9 2/20 0.36
MAPK1 P28482 2/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL562473 0.80 ALDH1A1 (0.60) CHRM2ALDH1A1ALDH2ALDH3A1CES1
SCHEMBL20210940 0.74 CDC25A (0.50) CHRM2ALDH1A1ALDH2ALDH3A1CES1
SCHEMBL8791013 0.71 ALDH1A1 (0.48) CHRM2ALDH1A1ALDH2ALDH3A1MAPT
SCHEMBL19297675 0.70 BRD4 (0.43) ALDH1A1ALDH2ALDH3A1CES1CDC25A
SCHEMBL8694805 0.69 RXFP1 (0.58) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL8790087 0.68 ALDH1A1 (0.51) CHRM2ALDH1A1ALDH2ALDH3A1MAPT
SCHEMBL20218241 0.67 ALDH1A1 (0.43) CHRM2ALDH1A1ALDH2ALDH3A1CES1
SCHEMBL8103457 0.66 ALDH1A1 (0.44) CHRM2ALDH1A1ALDH2ALDH3A1MAPT
SCHEMBL14560536 0.65 RXFP1 (0.57) ALDH1A1ALDH2ALDH3A1SMN1; SMN2KMT2A
SCHEMBL8301869 0.65 CHRM2 (0.48) CHRM2ALDH1A1RAB9ASMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4738172-B2 2011-08-03 JP claimed
EP-1560827-B1 ANTI-INFECTIVE AGENTS ABBOTT LAB (US) 2010-12-29 EP claimed
EP-1560827-A1 ANTI-INFECTIVE AGENTS Abbott Laboratories (US) 2005-08-10 EP claimed
US-20050075331-A1 Anti-infective agents ABBOTT LABORATORIES 2005-04-07 US claimed
US-20040167123-A1 Anti-infective agents ABBVIE INC. 2004-08-26 US claimed
WO-2004041818-A1 ANTI-INFECTIVE AGENTS ABBOTT LABORATORIES (US) 2004-05-21 WO claimed
EP-2361913-A1 Anti-infective agents Abbott Laboratories (US) 2011-08-31 EP disclosed
US-7902203-B2 Anti-infective agents ABBOTT LABORATORIES, INC. (US) 2011-03-08 US disclosed
EP-1560827-B1 ANTI-INFECTIVE AGENTS ABBOTT LAB (US) 2010-12-29 EP disclosed
US-20050075331-A1 Anti-infective agents ABBOTT LABORATORIES 2005-04-07 US disclosed
US-20040167123-A1 Anti-infective agents ABBVIE INC. 2004-08-26 US disclosed
US-20040087577-A1 Anti-infective agents ABBOTT LABORATORIES 2004-05-06 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 (3 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-20040167123-A1 Anti-infective agents SERPINB1, CYP51A1, ZC3HAV1 CHRM2 4794/4885ALDH1A1 891/4885ALDH2 2392/4885
US-20050075331-A1 Anti-infective agents RPL35, POLI, POLRMT CHRM2 4819/4885ALDH1A1 1592/4885ALDH2 1640/4885
US-20040087577-A1 Anti-infective agents POLR1C, RPL5, POLB CHRM2 4757/4885ALDH1A1 1434/4885ALDH2 2379/4885

“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.