SCHEMBL5842471

SCHEMBL5842471

O=C(O)CNc1cccc(Cl)c1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.58
MEN1 O00255 7/20 0.58
MAPT P10636 3/20 0.51
LMNA P02545 2/20 0.51
ALDH1A1 P00352 1/20 0.48
NPC1 O15118 1/20 0.47
HPGD P15428 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PARP1 P09874 1/20 0.46
MAPK1 P28482 1/20 0.46
TSHR P16473 2/20 0.46
AKR1B1 P15121 1/20 0.46
AKR1B10 O60218 1/20 0.45
UGT1A9 O60656 1/20 0.45
TRPA1 O75762 1/20 0.45
ABCB11 O95342 1/20 0.45
MT-CO2 P00403 1/20 0.45
TTR P02766 1/20 0.45
ALB P02768 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
SCHEMBL29512015 0.85 CXCL8 (0.54) KMT2AMEN1MAPTLMNANPC1
SCHEMBL158175 0.85 CXCL8 (0.54) KMT2AMEN1MAPTLMNANPC1
SCHEMBL7213300 0.84 PARP1 (0.45) KMT2AMEN1MAPTNPC1RAB9A
Ammonia Solution, Strong SCHEMBL23300490 0.83 CXCL8 (0.53) KMT2AMEN1MAPTLMNANPC1
SCHEMBL28306745 0.83 CXCL8 (0.53) KMT2AMEN1MAPTLMNANPC1
SCHEMBL7824620 0.82 PBRM1 (0.55) KMT2AMEN1ALDH1A1PARP1AKR1B1
SCHEMBL381570 0.82 ALDH1A1 (0.47) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL25134354 0.82 ALDH1A1 (0.57) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL9772110 0.79 MAPT (0.64) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL8365425 0.79 KMT2A (0.50) KMT2AMEN1LMNAMAPK1AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7109243-B2 Inhibitors of cathepsin S IRM LLC (BM) 2006-09-19 US disclosed
WO-2004084842-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2004-10-07 WO disclosed
US-20040198780-A1 Inhibitors of cathepsin S IRM LLC (BM) 2004-10-07 US disclosed
US-5475106-A Agonist for cholecystokinin and gastrin receptors; nervous system, gastrointestinal disorders RHONE-POULENC RORER S.A. (FR) 1995-12-12 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-20040198780-A1 Inhibitors of cathepsin S CTSS, CTSK, CTSE KMT2A 3983/4885MEN1 3552/4885MAPT 3007/4885

“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.