SCHEMBL4490943

SCHEMBL4490943

CCC1c2cccn2-c2ccc(F)cc2N1C(=O)c1cccc(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
HSD11B1 P28845 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
CBX7 O95931 1/20 0.41
CDYL2 Q8N8U2 1/20 0.41
CDYL Q9Y232 1/20 0.41
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
SCN5A Q14524 1/20 0.39
SCN9A Q15858 1/20 0.39
BCHE P06276 2/20 0.38
ACHE P22303 2/20 0.38
HPGD P15428 1/20 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
SCHEMBL4487591 0.90 ALDH1A1 (0.40) ALDH1A1HSD11B1NPC1RAB9ASMN1; SMN2
SCHEMBL4494703 0.88 ELANE (0.43) ALDH1A1LMNAKMT2AKDM4EMEN1
SCHEMBL4498568 0.87 MGLL (0.35) LMNAKMT2AMEN1
SCHEMBL4502884 0.87 MGLL (0.35) LMNAKMT2AMEN1
SCHEMBL4497604 0.87 ALDH1A1 (0.48) ALDH1A1HSD11B1NPC1RAB9ASMN1; SMN2
SCHEMBL4490813 0.85 HSD11B1 (0.42) ALDH1A1HSD11B1NPC1RAB9ASMN1; SMN2
SCHEMBL4490091 0.83 KMT2A (0.35) ALDH1A1SMN1; SMN2KMT2AMEN1HPGD
SCHEMBL4870429 0.81 ALDH1A1 (0.49) ALDH1A1HSD11B1NPC1RAB9ASMN1; SMN2
SCHEMBL4863675 0.80 ALDH1A1 (0.47) ALDH1A1HSD11B1NPC1RAB9ASMN1; SMN2
SCHEMBL4496967 0.78 P2RY1 (0.40) RAB9ALMNAKMT2AKDM4EMEN1

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
US-7563793-B2 Pyrrolo[1,2-a]quinoxalin-5-(4H)-yl)sulfonyls and carbonyls and their use as estrogenic agents WYETH (US) 2009-07-21 US disclosed
US-20060160815-A1 Pyrrolo[1,2-a]quinoxalin-5-(4H)-yl)sulfonyls and carbonyls and their use as estrogenic agents WYETH (US) 2006-07-20 US disclosed
WO-2006068928-A1 PYRROLO[1,2-A]QUINOXALIN-5-(4H)-YL)SULFONYLS AND CARBONYLS AND THEIR USE AS ESTROGENIC AGENTS WYETH (US) 2006-06-29 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-20060160815-A1 Pyrrolo[1,2-a]quinoxalin-5-(4H)-yl)sulfonyls and carbonyls and their use as estrogenic agents ESR1, GPER1, ESR2 ALDH1A1 2755/4885HSD11B1 654/4885NPC1 4241/4885

“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.