SCHEMBL12534165

SCHEMBL12534165

CC(C)c1ccc(Cl)c(F)c1Cl

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ PNMT P11086 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ EIF4A3 P38919 2/20 0.33
▸ PDE2A O00408 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ GLA P06280 1/20 0.32
▸ GABRA1 P14867 1/20 0.32
▸ GABRB1 P18505 1/20 0.32
▸ CFD P00746 1/20 0.32
▸ ANPEP P15144 1/20 0.31
▸ DPP4 P27487 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ TRPA1 O75762 1/20 0.30

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
SCHEMBL23432951 0.86 EIF4A3 (0.36) LMNACYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL18310663 0.84 EIF4A3 (0.35) LMNACYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL24420896 0.83 LMNA (0.31) LMNACYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL21567158 0.82 CYP3A4 (0.38) LMNACYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL21191253 0.82 GABRA1 (0.37) LMNATP53HTTEIF4A3PDE2A
SCHEMBL12693661 0.80 LMNA (0.35) LMNATP53HTTEIF4A3PDE2A
SCHEMBL12678217 0.80 LMNA (0.32) LMNATP53HTTEIF4A3PDE2A
SCHEMBL12604300 0.80 LMNA (0.35) LMNAEIF4A3GABRA1GABRB1ANPEP
SCHEMBL28935960 0.79 CYP1A2 (0.31) CYP1A2
SCHEMBL12533352 0.78 P2RX7 (0.31) GABRA1GABRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230017045-A1 PYRIDINE AND PYRIMIDINE CARBOXYLATE HERBICIDES AND METHODS OF USE THEREOF DOW AGROSCIENCES LLC (US) 2023-01-19 — — US disclosed
US-20220185800-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 BRISTOL MYERS SQUIBB CO (US) 2022-06-16 — — US disclosed
US-20220144818-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 BRISTOL MYERS SQUIBB CO (US) 2022-05-12 — — US disclosed
WO-2020210308-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 BRISTOL-MYERS SQUIBB COMPANY (US) 2020-10-15 — — WO disclosed
US-9693556-B2 Herbicidal pyridazinone derivatives SYNGENTA LIMITED (GB) 2017-07-04 — — US disclosed
US-20140296228-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION GILEAD SCIENCES, INC. (US) 2014-10-02 — — US disclosed
US-20140296228-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION GILEAD SCIENCES, INC. (US) 2014-10-02 — — US disclosed
US-20130197231-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION GILEAD SCIENCES, INC. (US) 2013-08-01 — — US disclosed
US-20130197231-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION GILEAD SCIENCES, INC. (US) 2013-08-01 — — US disclosed
US-8354429-B2 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. (US) 2013-01-15 — — US disclosed
US-7956068-B2 Inhibitors of human immunodeficiency virus replication BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-07 — — US disclosed
US-20100311735-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2010-12-09 — — US disclosed
US-20100305115-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2010-12-02 — — 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 (7 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-20220185800-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 LGALS3, LGALS1, LGALS3BP LMNA 1414/4885CYP1A2 4500/4885CYP3A4 4137/4885
US-20230017045-A1 PYRIDINE AND PYRIMIDINE CARBOXYLATE HERBICIDES AND METHODS OF USE THEREOF PDXK, DPYD, DDT LMNA 4716/4885CYP1A2 298/4885CYP3A4 239/4885
US-20140296228-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION RTF2, REV1, POLR1E LMNA 4290/4885CYP1A2 2362/4885CYP3A4 734/4885
US-20130197231-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION RTF2, REV1, POLR1E LMNA 4290/4885CYP1A2 2362/4885CYP3A4 734/4885
US-20220144818-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 LGALS3, LGALS3BP, LGALS1 LMNA 1544/4885CYP1A2 4531/4885CYP3A4 4118/4885
US-20100305115-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION CCNY, RTF2, POLR2E LMNA 2685/4885CYP1A2 1818/4885CYP3A4 786/4885
US-20100311735-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION RTF2, REV1, POLR1E LMNA 4290/4885CYP1A2 2362/4885CYP3A4 734/4885

“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.

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