Sugi Predict

Sugi Predict / Compounds / SCHEMBL46646

SCHEMBL46646

SCHEMBL46646

CSc1ccc(C(=O)O)cn1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.71
▸ CYP1A2 P05177 1/20 0.71
▸ CYP2C9 P11712 1/20 0.71
▸ HPGD P15428 1/20 0.71
▸ CYP2C19 P33261 1/20 0.71
▸ HSD17B10 Q99714 1/20 0.71
▸ P4HA1 P13674 2/20 0.55
▸ P4HTM Q9NXG6 2/20 0.55
▸ MIF P14174 1/20 0.53
▸ GABRP O00591 1/20 0.52
▸ GABRD O14764 1/20 0.52
▸ GABRA1 P14867 1/20 0.52
▸ GABRB1 P18505 1/20 0.52
▸ GABRG2 P18507 1/20 0.52
▸ GABRB3 P28472 1/20 0.52
▸ GABRA5 P31644 1/20 0.52
▸ GABRA3 P34903 1/20 0.52
▸ GABRA2 P47869 1/20 0.52
▸ GABRB2 P47870 1/20 0.52
▸ GABRA4 P48169 1/20 0.52

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
Formic Acid SCHEMBL1713397 0.93 ALDH1A1 (0.62) ALDH1A1CYP1A2CYP2C9HPGDCYP2C19
SCHEMBL2654849 0.85 ALDH1A1 (0.52) ALDH1A1CYP1A2CYP2C9HPGDCYP2C19
SCHEMBL13539393 0.85 ALDH1A1 (0.79) ALDH1A1CYP1A2CYP2C9HPGDCYP2C19
SCHEMBL30003144 0.84 HPGD (0.50) ALDH1A1CYP1A2CYP2C9HPGDCYP2C19
SCHEMBL1091823 0.84 HPGD (0.50) ALDH1A1CYP1A2CYP2C9HPGDCYP2C19
SCHEMBL3680735 0.83 ALDH1A1 (0.77) ALDH1A1CYP1A2CYP2C9HPGDCYP2C19
SCHEMBL29693605 0.83 ALDH1A1 (1.00) ALDH1A1CYP1A2CYP2C9HPGDCYP2C19
SCHEMBL147705 0.83 ALDH1A1 (1.00) ALDH1A1CYP1A2CYP2C9HPGDCYP2C19
SCHEMBL18930988 0.82 NNMT (0.55) ALDH1A1CYP1A2CYP2C9HPGDCYP2C19
SCHEMBL11504782 0.82 ALDH1A1 (0.96) ALDH1A1CYP1A2CYP2C9HPGDCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12043607-B2 HDAC inhibitors and therapeutic use thereof TANGO THERAPEUTICS, INC. (US) 2024-07-23 — — US disclosed
US-11697636-B2 Substituted benzamides HOFFMANN-LA ROCHE INC. (US) 2023-07-11 — — US disclosed
US-20230174501-A1 NOVEL HDAC INHIBITORS AND THERAPEUTIC USE THEREOF TANGO THERAPEUTICS, INC. 2023-06-08 — — US disclosed
EP-3187490-B1 SUBSTITUTED BENZAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2022-04-06 — — EP disclosed
US-20210061760-A1 SUBSTITUTED BENZAMIDES HOFFMANN LA ROCHE (US) 2021-03-04 — — US disclosed
CN-109952302-B Positive allosteric modulators of muscarinic M1 receptors 苏文生命科学有限公司 2020-11-24 — — CN disclosed
US-20200048194-A1 SUBSTITUTED BENZAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2020-02-13 — — US disclosed
CN-109952302-A Muscarine M1 receptor forward direction allosteric modulators 苏文生命科学有限公司 2019-06-28 — — CN disclosed
EP-2590656-B1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX INC (US) 2017-11-15 — — EP disclosed
EP-3187490-A1 SUBSTITUTED BENZAMIDE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2017-07-05 — — EP disclosed
WO-2011159553-A1 HETEROCYCLIC FUSED PHENANTHROLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2011-12-22 — — WO disclosed
US-8012998-B2 Pyrrolidine aryl-ether as NK-3 receptor antagonists Hoffmann—La Roche Inc. (US) 2011-09-06 — — US disclosed
EP-2185540-B1 PYRROLIDINE ARYL-ETHER AS NK3 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2011-07-20 — — EP disclosed
WO-2011076678-A1 SUBSTITUTED BENZAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-30 — — WO disclosed
US-20110152245-A1 SUBSTITUTED BENZAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-23 — — US disclosed
EP-2281817-A1 SUBSTITUTED CARBINOL COMPOUND HAVING CYCLIC LINKER Kowa Company, Ltd. (JP) 2011-02-09 — — EP disclosed
EP-2185540-A1 PYRROLIDINE ARYL-ETHER AS NK3 RECEPTOR ANTAGONISTS F. Hoffmann-Roche AG (CH) 2010-05-19 — — EP disclosed
US-20100048610-A1 CARBINOL DERIVATIVES HAVING CYCLIC LINKER KOWA COMPANY, LTD. (JP) 2010-02-25 — — US disclosed
WO-2009019163-A1 PYRROLIDINE ARYL-ETHER AS NK3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-12 — — WO disclosed
US-20090042896-A1 PYRROLIDINE ARYL-ETHER AS NK3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-12 — — US 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 (8 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-20230174501-A1 NOVEL HDAC INHIBITORS AND THERAPEUTIC USE THEREOF HDAC1, HDAC7, HDAC5 ALDH1A1 495/4885CYP1A2 3559/4885CYP2C9 4302/4885
US-20210061760-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R ALDH1A1 440/4885CYP1A2 164/4885CYP2C9 350/4885
US-20110152245-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R ALDH1A1 440/4885CYP1A2 164/4885CYP2C9 350/4885
US-20100048610-A1 CARBINOL DERIVATIVES HAVING CYCLIC LINKER NR1H2, NR1H3, LDLR ALDH1A1 3636/4885CYP1A2 1910/4885CYP2C9 2788/4885
US-20090042896-A1 PYRROLIDINE ARYL-ETHER AS NK3 RECEPTOR ANTAGONISTS OPRL1, OPRK1, OPRD1 ALDH1A1 639/4885CYP1A2 550/4885CYP2C9 1225/4885
US-20200048194-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R ALDH1A1 440/4885CYP1A2 164/4885CYP2C9 350/4885
US-12043607-B2 HDAC inhibitors and therapeutic use thereof HDAC1, HDAC7, HDAC5 ALDH1A1 477/4885CYP1A2 2904/4885CYP2C9 3548/4885
US-11697636-B2 Substituted benzamides TAAR1, TAAR5, NPY1R ALDH1A1 440/4885CYP1A2 164/4885CYP2C9 350/4885

“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.