SCHEMBL4497604

SCHEMBL4497604

COc1cccc(C(=O)N2c3cc(F)ccc3-n3cccc3C2C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
TSHR P16473 2/20 0.45
HSD11B1 P28845 1/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
SCN5A Q14524 1/20 0.41
SCN9A Q15858 1/20 0.41
PTPN1 P18031 1/20 0.41
BCHE P06276 2/20 0.40
ACHE P22303 2/20 0.40
HPGD P15428 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CES2 O00748 1/20 0.39

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
SCHEMBL4503738 0.89 ALDH1A1 (0.44) ALDH1A1TSHRHSD11B1LMNAHTT
SCHEMBL4500535 0.88 ELANE (0.43) LMNAMEN1KMT2ACRHBPCRHR2
SCHEMBL4490943 0.87 ALDH1A1 (0.46) ALDH1A1TSHRHSD11B1LMNAHTT
SCHEMBL4489743 0.86 KMT2A (0.39) TSHRKMT2APTPN1
SCHEMBL4502357 0.86 KMT2A (0.39) TSHRKMT2APTPN1
SCHEMBL4495844 0.86 KMT2A (0.39) TSHRKMT2APTPN1
SCHEMBL4503272 0.81 KMT2A (0.43) ALDH1A1TSHRLMNAHTTSMN1; SMN2
SCHEMBL4491393 0.81 KMT2A (0.43) ALDH1A1TSHRLMNAHTTSMN1; SMN2
SCHEMBL4501038 0.81 KMT2A (0.43) ALDH1A1TSHRLMNAHTTSMN1; SMN2
SCHEMBL4495254 0.77 PTPN1 (0.42) ALDH1A1LMNARAB9AMEN1KMT2A

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 2755/4885TSHR 224/4885HSD11B1 654/4885

“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.