SCHEMBL5757793

SCHEMBL5757793

Clc1ccc(-c2cnc(Cc3ccc4c(c3)OCO4)[nH]2)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ADORA2A P29274 1/20 0.43
PDE5A O76074 5/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CNR1 P21554 2/20 0.39
CNR2 P34972 2/20 0.39
HEXD Q8WVB3 1/20 0.39
DYRK1A Q13627 2/20 0.39
CLK4 Q9HAZ1 2/20 0.39
CLK1 P49759 1/20 0.39
CLK2 P49760 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
BRS3 P32247 1/20 0.38
MAPT P10636 3/20 0.38

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
SCHEMBL5758338 0.82 ADORA2A (0.43) ALDH1A1ADORA2AMEN1KMT2ACNR1
SCHEMBL5756342 0.81 ADORA2A (0.56) L3MBTL1ADORA2AMEN1KMT2ADYRK1A
SCHEMBL5757230 0.79 CNR1 (0.42) ALDH1A1MEN1KMT2ACNR1CNR2
SCHEMBL5757421 0.76 NPC1 (0.47) ALDH1A1ADORA2ASMN1; SMN2MEN1KMT2A
SCHEMBL5757516 0.75 CXCR2 (0.47) ALDH1A1SMN1; SMN2MEN1KMT2ACNR1
SCHEMBL5758378 0.75 CNR1 (0.41) ALDH1A1CNR1CNR2MAPTKDM4E
SCHEMBL5758176 0.73 PDE10A (0.53) ALDH1A1L3MBTL1ADORA2ASMN1; SMN2MEN1
SCHEMBL2162225 0.68 L3MBTL1 (0.54) ALDH1A1L3MBTL1PDE5ASMN1; SMN2MEN1
SCHEMBL109195 0.66 TAAR1 (0.64) ALDH1A1CYP1A2CYP3A4MAPT
SCHEMBL3088812 0.65 PDE5A (0.53) ALDH1A1CYP1A2CYP3A4CYP2C9L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1194144-B1 ANTIBACTERIAL COMPOUNDS AFFINIUM PHARM INC (CA) 2006-11-02 EP claimed
US-20030149089-A1 Antibacterial compounds SMITHKLINE BEECHAM CORPORATION 2003-08-07 US claimed
EP-1194144-B1 ANTIBACTERIAL COMPOUNDS AFFINIUM PHARM INC (CA) 2006-11-02 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-20030149089-A1 Antibacterial compounds MRPL21, MRPS28, SPOUT1 ALDH1A1 388/4885CYP1A2 742/4885CYP3A4 698/4885

“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.