SCHEMBL3364676

SCHEMBL3364676

C=CCN(C)CC#Cc1ccc(N(C)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.38
PTPN11 Q06124 1/20 0.36
BRD4 O60885 2/20 0.33
LMNA P02545 2/20 0.33
CREBBP Q92793 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
TGM2 P21980 1/20 0.33
PPARG P37231 1/20 0.33
NR1H3 Q13133 2/20 0.32
RXRA P19793 1/20 0.32
NR1H2 P55055 1/20 0.32
NPSR1 Q6W5P4 2/20 0.32
MEN1 O00255 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
LSS P48449 5/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL3365407 0.81 PAX8 (0.43) PAX8PTPN11BRD4LMNACREBBP
SCHEMBL3363541 0.80 PAX8 (0.42) PAX8PTPN11BRD4LMNACREBBP
SCHEMBL3365485 0.80 SMN1; SMN2 (0.49) LMNACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3365475 0.77 LSS (0.57) MEN1KMT2ALSS
SCHEMBL3368857 0.77 GABRP (0.45) PAX8PTPN11BRD4CREBBPCHRNB2
SCHEMBL3365192 0.76 LSS (0.59) MEN1KMT2ALSS
SCHEMBL3364560 0.76 LSS (0.59) MEN1KMT2ALSS
SCHEMBL3365364 0.76 PAX8 (0.39) PAX8PTPN11BRD4CREBBPCHRNB2
SCHEMBL16682152 0.75 PAX8 (0.42) PAX8CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL8018111 0.74 PAX8 (0.55) PAX8BRD4LMNACREBBPCHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1303503-B1 ANILINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-01-27 EP disclosed
US-6683201-B2 FOR THERAPY AND PROPHYLAXIS OF HYPERCHOLESTEROLEMIA, HYPERLIPEMIA, ARTERIOSCLEROSIS, VASCULAR DISEASES, MYCOSES, PARASITE INFECTIONS, GALLSTONES, TUMORS AND/OR HYPERPROLIFERATIVE DISORDERS, DIABETES HOFFMANN-LA ROCHE INC. 2004-01-27 US disclosed
EP-1303503-A2 ANILINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-04-23 EP disclosed
US-20020038025-A1 Analine derivatives as OSC inhibitors F.HOFFMANN-LA ROCHE AG (CH) 2002-03-28 US disclosed
WO-2002006189-A2 ANILINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-01-24 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-20020038025-A1 Analine derivatives as OSC inhibitors LSS, CYP51A1, CYP46A1 PAX8 4840/4885PTPN11 3844/4885BRD4 4712/4885

“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.