SCHEMBL526416

SCHEMBL526416

Cc1cc(N)cc(C)c1I

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
TSHR P16473 5/20 0.47
PDE10A Q9Y233 1/20 0.40
CASP1 P29466 2/20 0.38
CYP3A4 P08684 5/20 0.36
TDP1 Q9NUW8 3/20 0.36
TP53 P04637 2/20 0.36
MAPK1 P28482 1/20 0.36
NOS3 P29474 2/20 0.36
NOS1 P29475 2/20 0.36
NOS2 P35228 2/20 0.36
UHRF1 Q96T88 1/20 0.35
MEN1 O00255 2/20 0.34
MAPT P10636 2/20 0.34
THRB P10828 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
ALOX15 P16050 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL24616243 0.84 CYP3A4 (0.50) ALDH1A1TSHRPDE10ACASP1CYP3A4
SCHEMBL29999441 0.82 GAA (0.46) ALDH1A1TSHRPDE10ACASP1CYP3A4
SCHEMBL27043849 0.82 GAA (0.46) ALDH1A1TSHRPDE10ACASP1CYP3A4
SCHEMBL27730023 0.82 TSHR (0.48) ALDH1A1TSHRPDE10ACASP1CYP3A4
SCHEMBL112391 0.73 ALDH1A1 (0.53) ALDH1A1TSHRPDE10ACASP1CYP3A4
SCHEMBL260795 0.73 ALDH1A1 (0.53) ALDH1A1TSHRPDE10ACASP1CYP3A4
SCHEMBL33589 0.73 ALDH1A1 (0.65) ALDH1A1TSHRPDE10ACASP1CYP3A4
SCHEMBL760815 0.73 RAPGEF4 (0.45) ALDH1A1TSHRTDP1TP53NOS3
SCHEMBL879028 0.73 ALDH1A1 (0.47) ALDH1A1TSHRCYP3A4TDP1TP53
SCHEMBL17481117 0.73 TTR (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8354444-B2 Substituted pyrrolidine-2-carboxamides HOFFMANN-LA ROCHE INC. (US) 2013-01-15 US claimed
EP-2534132-A1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES F. Hoffmann-La Roche AG (CH) 2012-12-19 EP claimed
US-20100152190-A1 Substituted Pyrrolidine-2-Carboxamides F. HOFFMANN-LA ROCHE AG (CH) 2010-06-17 US claimed
US-20100075948-A1 Substituted Pyrrolidine-2-Carboxamides DING QINGJIE 2010-03-25 US claimed
CN-122036699-A THR-beta modulators and methods of use thereof 阿利戈斯治疗公司 2026-05-15 CN disclosed
US-20250304561-A1 MODULATORS OF THR-BETA AND METHODS OF USE THEREOF ALIGOS THERAPEUTICS, INC. (US) 2025-10-02 US disclosed
EP-4523692-A2 MODULATORS OF THR-SS AND METHODS OF USE THEREOF Aligos Therapeutics, Inc. (US) 2025-03-19 EP disclosed
EP-3965884-B1 MODULATORS OF THR-BETA WITH A DIOXO-1,2,4-TRIAZYL HEAD GROUP ALIGOS THERAPEUTICS INC (US) 2025-01-15 EP disclosed
US-12180192-B2 Modulators of THR-β and methods of use thereof ALIGOS THERAPEUTICS, INC. (US) 2024-12-31 US disclosed
WO-2024240242-A1 COMPOUND CONTAINING AMIDE-SUBSTITUTED AROMATIC RING, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF 正大天晴药业集团股份有限公司 2024-11-28 WO disclosed
CN-114096531-A THR-beta modulators and methods of use thereof 阿利戈斯治疗公司 2022-02-25 CN disclosed
US-20220024907-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2022-01-27 US disclosed
EP-2534132-A1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES F. Hoffmann-La Roche AG (CH) 2012-12-19 EP disclosed
US-20120028923-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. 2012-02-02 US disclosed
US-20120028923-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. 2012-02-02 US disclosed
WO-2012015972-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2012-02-02 WO disclosed
WO-2012015723-A1 SULFONAMIDE COMPOUNDS USEFUL AS CYP17 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-02-02 WO disclosed
WO-2011098398-A1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2011-08-18 WO disclosed
US-20100152190-A1 Substituted Pyrrolidine-2-Carboxamides F. HOFFMANN-LA ROCHE AG (CH) 2010-06-17 US disclosed
US-20100075948-A1 Substituted Pyrrolidine-2-Carboxamides DING QINGJIE 2010-03-25 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 (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-20250304561-A1 MODULATORS OF THR-BETA AND METHODS OF USE THEREOF THRB, THRA, TRHR ALDH1A1 3330/4885TSHR 4/4885PDE10A 492/4885
US-20100152190-A1 Substituted Pyrrolidine-2-Carboxamides ARG2, CCNY, PYCR1 ALDH1A1 2027/4885TSHR 846/4885PDE10A 3352/4885
US-20120028923-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 ALDH1A1 3686/4885TSHR 4061/4885PDE10A 1334/4885
US-12180192-B2 Modulators of THR-β and methods of use thereof THRB, THRA, TRHR ALDH1A1 3049/4885TSHR 4/4885PDE10A 456/4885
US-20100075948-A1 Substituted Pyrrolidine-2-Carboxamides ARG2, CCNY, PYCR1 ALDH1A1 2027/4885TSHR 846/4885PDE10A 3352/4885
US-20220024907-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 ALDH1A1 3686/4885TSHR 4061/4885PDE10A 1334/4885

“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.