SCHEMBL4150532

SCHEMBL4150532

ClCc1nc(-c2ccccc2)co1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
AKR1B1 P15121 1/20 0.43
ENPP3 O14638 4/20 0.41
ENPP1 P22413 3/20 0.41
HSD11B1 P28845 3/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
DAGLA Q9Y4D2 1/20 0.40
RAB9A P51151 1/20 0.40
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
SMO Q99835 2/20 0.37
NPPA P01160 1/20 0.36
MME P08473 1/20 0.36
CES1 P23141 1/20 0.36

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
SCHEMBL5638588 0.81 HSD17B1 (0.47) ALDH1A1ENPP3ENPP1KMT2AMEN1
SCHEMBL6594295 0.81 AKR1B1 (0.49) AKR1B1ENPP3ENPP1HSD11B1KMT2A
SCHEMBL9880273 0.81 S1PR1 (0.50) AKR1B1ENPP3ENPP1HSD11B1KMT2A
SCHEMBL28956300 0.81 NOTUM (0.46) ALDH1A1AKR1B1ENPP3ENPP1HSD11B1
SCHEMBL4142338 0.81 NOTUM (0.49) AKR1B1ENPP3ENPP1HSD11B1KMT2A
SCHEMBL201772 0.81 AKR1B1 (0.43) ALDH1A1AKR1B1ENPP3ENPP1HSD11B1
SCHEMBL8334940 0.78 S1PR1 (0.53) ALDH1A1AKR1B1ENPP3ENPP1HSD11B1
SCHEMBL12064815 0.78 NPC1 (0.51) LMNAAKR1B1ENPP3ENPP1HSD11B1
SCHEMBL5639069 0.78 ENPP3 (0.59) ALDH1A1LMNAENPP3ENPP1RAB9A
SCHEMBL23975591 0.77 ENPP3 (0.42) AKR1B1ENPP3ENPP1HSD11B1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019175464-A1 COMPOUNDS USEFUL AS INHIBITORS OF SODIUM-CALCIUM EXCHANGER (NCX) ORION CORPORATION (FI) 2019-09-19 WO disclosed
US-20090170907-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-07-02 US disclosed
US-20090170907-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-07-02 US disclosed
US-20090170907-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-07-02 US disclosed
EP-1888512-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-20 EP disclosed
WO-2006133216-A2 4-SUBSTITUTED ARYLAMINE DERIVATIVES AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS SMITHKLINE BEECHAM CORPORATION (US) 2006-12-14 WO disclosed
EP-0222576-B1 HETEROCYCLIC OXOPHTHALAZINYL ACETIC ACIDS PFIZER INC. (US) 1992-03-18 EP 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-20090170907-A1 Chemical Compounds NR3C2, NR5A1, NR3C1 ALDH1A1 1164/4885LMNA 4180/4885AKR1B1 123/4885

“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.