Sugi Predict

Sugi Predict / Compounds / SCHEMBL3033381

SCHEMBL3033381

SCHEMBL3033381

COc1cc2c(C=O)c[nH]c2cn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ KDM4E B2RXH2 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ MTNR1A P48039 1/20 0.49
▸ MTNR1B P49286 1/20 0.49
▸ CCNT1 O60563 1/20 0.44
▸ CDK9 P50750 1/20 0.44
▸ HASPIN Q8TF76 1/20 0.44
▸ GABRP O00591 2/20 0.44
▸ GABRD O14764 2/20 0.44
▸ GABRA1 P14867 2/20 0.44
▸ GABRB1 P18505 2/20 0.44
▸ GABRG2 P18507 2/20 0.44
▸ GABRB3 P28472 2/20 0.44
▸ GABRA5 P31644 2/20 0.44
▸ GABRA3 P34903 2/20 0.44
▸ GABRA2 P47869 2/20 0.44
▸ GABRB2 P47870 2/20 0.44

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
SCHEMBL3033737 0.88 MAPT (0.55) ALDH1A1CYP1A2CYP2C19KDM4EMAPT
SCHEMBL13543392 0.84 CCNT1 (0.44) ALDH1A1CYP1A2CYP2C19KDM4EMAPT
SCHEMBL8171615 0.81 GABRP (0.50) ALDH1A1CYP1A2CYP2C19KDM4EMAPT
SCHEMBL20912834 0.77 MTNR1A (0.46) ALDH1A1CYP1A2CYP2C19KDM4EMAPT
SCHEMBL19760787 0.77 MTNR1A (0.46) ALDH1A1CYP1A2CYP2C19KDM4EMAPT
SCHEMBL20912835 0.77 MTNR1A (0.46) ALDH1A1CYP1A2CYP2C19KDM4EMAPT
SCHEMBL19780083 0.77 MTNR1A (0.50) CYP2C19MAPTMTNR1AMTNR1BGABRP
SCHEMBL1418984 0.76 GABRP (0.55) ALDH1A1CYP1A2CYP2C19KDM4EMAPT
SCHEMBL29955835 0.76 CCNT1 (0.48) ALDH1A1CYP1A2CYP2C19KDM4EMAPT
SCHEMBL19779949 0.76 MTNR1A (0.49) CYP2C19MAPTMTNR1AMTNR1BHASPIN

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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 — — US disclosed
CN-109311876-B Heteroaryl estrogen receptor modulators and uses thereof 豪夫迈·罗氏有限公司 2022-05-03 — — CN disclosed
EP-3472162-B1 HETEROARYL ESTROGEN RECEPTOR MODULATORS AND USES THEREOF HOFFMANN LA ROCHE (CH) 2021-11-17 — — EP disclosed
US-10654867-B2 Heteroaryl estrogen receptor modulators and uses thereof GENENTECH, INC. (US) 2020-05-19 — — US disclosed
US-10654867-B2 Heteroaryl estrogen receptor modulators and uses thereof GENENTECH, INC. (US) 2020-05-19 — — US disclosed
EP-3472162-A1 HETEROARYL ESTROGEN RECEPTOR MODULATORS AND USES THEREOF F. Hoffmann-La Roche AG (CH) 2019-04-24 — — EP disclosed
US-20180002344-A1 HETEROARYL ESTROGEN RECEPTOR MODULATORS AND USES THEREOF GENENTECH, INC. (US) 2018-01-04 — — US disclosed
US-20180002344-A1 HETEROARYL ESTROGEN RECEPTOR MODULATORS AND USES THEREOF GENENTECH, INC. (US) 2018-01-04 — — US disclosed
EP-1648867-B1 PPAR ACTIVE COMPOUNDS PLEXXIKON INC (US) 2013-09-04 — — EP disclosed
EP-1648867-B1 PPAR ACTIVE COMPOUNDS PLEXXIKON INC (US) 2013-09-04 — — EP disclosed
US-20070155818-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. 2007-07-05 — — US disclosed
US-20070155818-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. 2007-07-05 — — US disclosed
US-20070149603-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. 2007-06-28 — — US disclosed
US-20070149603-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. 2007-06-28 — — US disclosed
US-7202266-B2 PPAR active compounds PLEXXIKON, INC. (US) 2007-04-10 — — US disclosed
US-7202266-B2 PPAR active compounds PLEXXIKON, INC. (US) 2007-04-10 — — US disclosed
EP-1648867-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. (US) 2006-04-26 — — EP disclosed
US-20050288354-A1 PPAR active compounds PLEXXIKON, INC. 2005-12-29 — — US disclosed
US-20050038246-A1 PPAR active compounds PLEXXIKON, INC. 2005-02-17 — — US disclosed
WO-2005009958-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. (US) 2005-02-03 — — 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 (6 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-20050038246-A1 PPAR active compounds PPARG, PPARD, PPARA ALDH1A1 1171/4885CYP1A2 1147/4885CYP2C19 1356/4885
US-20050288354-A1 PPAR active compounds PPARG, PPARD, PPARA ALDH1A1 1171/4885CYP1A2 1147/4885CYP2C19 1356/4885
US-20180002344-A1 HETEROARYL ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ESR2, GPER1, ESRRA ALDH1A1 1204/4885CYP1A2 109/4885CYP2C19 239/4885
US-20070149603-A1 PPAR ACTIVE COMPOUNDS PPARG, PPARD, PPARA ALDH1A1 1171/4885CYP1A2 1147/4885CYP2C19 1356/4885
US-20070155818-A1 PPAR ACTIVE COMPOUNDS PPARG, PPARD, PPARA ALDH1A1 1171/4885CYP1A2 1147/4885CYP2C19 1356/4885
US-10654867-B2 Heteroaryl estrogen receptor modulators and uses thereof ESR2, GPER1, ESRRA ALDH1A1 1204/4885CYP1A2 109/4885CYP2C19 239/4885

“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.