SCHEMBL7093315

SCHEMBL7093315

Clc1ccccc1SCCCBr

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.43
DHFR P00374 1/20 0.40
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 3/20 0.38
GAA P10253 3/20 0.38
NPC1 O15118 2/20 0.38
POLB P06746 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ALDH1A1 P00352 3/20 0.35
MAPT P10636 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPK1 P28482 1/20 0.35
TSHR P16473 1/20 0.35
HTR7 P34969 1/20 0.34
CA2 P00918 1/20 0.34
BACE1 P56817 1/20 0.33
GRM2 Q14416 1/20 0.33

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
SCHEMBL30753726 0.83 LMNA (0.45) DHFRRAB9ASMN1; SMN2LMNAGAA
SCHEMBL2655184 0.82 DHFR (0.41) PTGS2DHFRRAB9ASMN1; SMN2LMNA
SCHEMBL19002781 0.80 PTGS2 (0.51) PTGS2DHFRRAB9ASMN1; SMN2LMNA
SCHEMBL10905449 0.80 RAB9A (0.41) PTGS2DHFRRAB9ASMN1; SMN2LMNA
SCHEMBL30417867 0.78 PTGS2 (0.51) PTGS2DHFRALDH1A1
SCHEMBL21740872 0.76 DHFR (0.43) PTGS2DHFRRAB9ASMN1; SMN2LMNA
SCHEMBL18997259 0.76 DHFR (0.40) PTGS2DHFRRAB9ASMN1; SMN2LMNA
SCHEMBL10144132 0.75 PTGS2 (0.47) PTGS2DHFRRAB9ASMN1; SMN2LMNA
SCHEMBL5576227 0.75 CYP1A2 (0.50) DHFRRAB9ASMN1; SMN2LMNAGAA
SCHEMBL4267829 0.74 ALDH1A1 (0.61) PTGS2RAB9ASMN1; SMN2LMNAGAA

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
CN-1437598-A Novel indole derivatives LUNDBECK & CO AS H (DK) 2003-08-20 CN disclosed
US-20030050307-A1 Novel indole derivatives H. LUNDBECK A/S (DK) 2003-03-13 US disclosed
EP-1246818-A1 NOVEL INDOLE DERIVATIVES H. LUNDBECK A/S (DK) 2002-10-09 EP disclosed
WO-2001049680-A1 NOVEL INDOLE DERIVATIVES H. LUNDBECK A/S (DK) 2001-07-12 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-20030050307-A1 Novel indole derivatives HTR1A, HTR3C, HTR2C PTGS2 1397/4885DHFR 1679/4885RAB9A 1340/4885

“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.