Sugi Predict

Sugi Predict / Compounds / SCHEMBL3228979

SCHEMBL3228979

SCHEMBL3228979

CC(C)Nc1ccccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.46
▸ NR4A2 P43354 1/20 0.46
▸ IDO1 P14902 1/20 0.44
▸ LMNA P02545 4/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ KCNQ2 O43526 1/20 0.42
▸ TAS1R3 Q7RTX0 1/20 0.41
▸ TAS1R1 Q7RTX1 1/20 0.41
▸ TSHR P16473 3/20 0.41
▸ CYP3A4 P08684 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ ATM Q13315 1/20 0.40

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
Ammonia Solution, Strong SCHEMBL3225266 0.98 NR4A2 (0.45) TDP1NR4A2IDO1LMNAALDH1A1
SCHEMBL11520827 0.82 KCNQ2 (0.44) LMNAALDH1A1KDM4EMAPTHPGD
SCHEMBL10688898 0.82 CYP1A2 (0.45) LMNAALDH1A1KDM4EMAPTHPGD
SCHEMBL24356098 0.82 KCNQ2 (0.40) LMNAALDH1A1KDM4EMAPTHPGD
SCHEMBL18559246 0.82 KCNQ2 (0.40) LMNAALDH1A1KDM4EMAPTHPGD
SCHEMBL8165575 0.82 NR4A2 (0.47) NR4A2LMNAALDH1A1KDM4EMAPT
SCHEMBL2962223 0.82 TDP1 (0.57) TDP1NR4A2IDO1LMNAALDH1A1
SCHEMBL14017791 0.80 NR4A2 (0.50) NR4A2LMNAALDH1A1KDM4EMAPT
SCHEMBL10388731 0.79 KCNQ2 (0.49) LMNAALDH1A1KDM4EMEN1KMT2A
SCHEMBL29071459 0.79 KCNQ2 (0.49) LMNAALDH1A1KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0348737-B1 HETEROARYLOXY-ACETIC ACID N-ISOPROPYL ANILIDES BAYER AG (DE) 1993-08-04 — — EP claimed
US-11731943-B2 Therapeutic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2023-08-22 — — US disclosed
US-11731943-B2 Therapeutic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2023-08-22 — — US disclosed
WO-2023126951-A1 INHIBITORS OF AUTOPHAGY-RELATED PROTEIN-PROTEIN INTERACTIONS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2023-07-06 — — WO disclosed
US-20230136150-A1 Compositions for Inhibition of Insect Sensing UNIV VANDERBILT (US) 2023-05-04 — — US disclosed
US-20230136150-A1 Compositions for Inhibition of Insect Sensing UNIV VANDERBILT (US) 2023-05-04 — — US disclosed
US-11229649-B2 Methods for treating cryptosporidiosis using triazolopyridazines UNIVERSITY OF VERMONT AND STATE AGRICULTURAL COLLEGE (US) 2022-01-25 — — US disclosed
CN-105899492-B Process for preparing pyrimidylcyclopentane compounds 豪夫迈·罗氏有限公司 2021-08-24 — — CN disclosed
US-20210219551-A1 Compositions for Inhibition of Insect Sensing VANDERBILT UNIVERSITY 2021-07-22 — — US disclosed
US-20210179564-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-06-17 — — US disclosed
US-20060160794-A1 Tachykinin receptor antagonists ELI LILLY AND COMPANY 2006-07-20 — — US disclosed
EP-1638944-A1 TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2006-03-29 — — EP disclosed
WO-2005000821-A1 TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-01-06 — — WO disclosed
WO-2003035057-A1 INHIBITORS OF DIPEPTIDYL PEPTIDASE IV FERRING B.V. (NL) 2003-05-01 — — WO disclosed
EP-0552925-B1 Equilibration of cyclic siloxanes with catalysts DOW CORNING (US) 1997-04-09 — — EP disclosed
EP-0479877-B1 METHOD OF PREPARING N-ALKYL-HALOANILINES HOECHST AG (DE) 1994-10-12 — — EP disclosed
US-5292957-A Process for the preparation of N-alkylhalogenoanilines HOECHST AKTIENGESELLSCHAFT (DE) 1994-03-08 — — US disclosed
EP-0552925-A2 Equilibration of cyclic siloxanes with novel catalysts DOW CORNING CORPORATION (US) 1993-07-28 — — EP disclosed
EP-0479877-A1 METHOD OF PREPARING N-ALKYL-HALOANILINES. HOECHST AG (DE) 1992-04-15 — — EP disclosed
WO-1991000262-A1 METHOD OF PREPARING N-ALKYL-HALOANILINES HOECHST AKTIENGESELLSCHAFT (DE) 1991-01-10 — — 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-11229649-B2 Methods for treating cryptosporidiosis using triazolopyridazines CLPP, SI, SAMHD1 TDP1 1472/4885NR4A2 4220/4885IDO1 1684/4885
US-20230136150-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 TDP1 4502/4885NR4A2 869/4885IDO1 930/4885
US-20060160794-A1 Tachykinin receptor antagonists TACR1, TACR2, PROKR1 TDP1 2297/4885NR4A2 2354/4885IDO1 554/4885
US-11731943-B2 Therapeutic compounds, compositions and methods of use thereof JAK2, JAK1, JAK3 TDP1 3216/4885NR4A2 4370/4885IDO1 1979/4885
US-20210179564-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF JAK2, JAK1, JAK3 TDP1 3216/4885NR4A2 4370/4885IDO1 1979/4885
US-20210219551-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 TDP1 4502/4885NR4A2 869/4885IDO1 930/4885

“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.