SCHEMBL1106341

SCHEMBL1106341

O/N=C(\Cl)c1c(Cl)cccc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
CYP1A2 P05177 1/20 0.38
CYP2A6 P11509 1/20 0.38
TSHR P16473 3/20 0.37
LMNA P02545 1/20 0.36
FEN1 P39748 1/20 0.36
HPGD P15428 2/20 0.35
NPC1 O15118 1/20 0.35
GLA P06280 1/20 0.35
POLB P06746 1/20 0.34
CTBP2 P56545 1/20 0.33
JAK2 O60674 1/20 0.33
CYP3A4 P08684 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
SLC22A1 O15245 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32
CHRM1 P11229 1/20 0.32
ADRA2B P18089 1/20 0.32

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
SCHEMBL2201612 1.00 ALDH1A1 (0.58) ALDH1A1CYP1A2CYP2A6TSHRLMNA
SCHEMBL10426802 1.00 ALDH1A1 (0.58) ALDH1A1CYP1A2CYP2A6TSHRLMNA
SCHEMBL5772875 0.85 ALDH1A1 (0.48) ALDH1A1LMNAJAK2CYP3A4JAK1
SCHEMBL19900000 0.85 ALDH1A1 (0.48) ALDH1A1POLBTYK2HTR2AHTR2C
SCHEMBL29387927 0.85 ALDH1A1 (0.48) ALDH1A1LMNAJAK2CYP3A4JAK1
SCHEMBL11893724 0.85 ALDH1A1 (0.48) ALDH1A1LMNAJAK2CYP3A4JAK1
SCHEMBL11911197 0.85 ALDH1A1 (0.48) ALDH1A1LMNAJAK2CYP3A4JAK1
SCHEMBL19899998 0.85 ALDH1A1 (0.48) ALDH1A1POLBTYK2HTR2AHTR2C
SCHEMBL23277213 0.80 TYK2 (0.46) ALDH1A1CYP3A4TYK2SMN1; SMN2MEN1
SCHEMBL22789943 0.80 CA1 (0.44) ALDH1A1TSHRLMNAHPGDCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240262799-A1 ISOXAZOLE DERIVATIVES AS NUCLEAR RECEPTOR AGONISTS AND USES THEREOF IL DONG PHARMACEUTICAL CO., LTD. (KR) 2024-08-08 US disclosed
US-11912674-B2 Isoxazole derivatives as nuclear receptor agonists and uses thereof IL DONG PHARMACEUTICAL CO., LTD. (KR) 2024-02-27 US disclosed
US-20230357244-A1 FXR SMALL-MOLECULE AGONIST, AND PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2023-11-09 US disclosed
US-20230357244-A1 FXR SMALL-MOLECULE AGONIST, AND PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2023-11-09 US disclosed
US-20230295141-A1 FXR SMALL MOLECULE AGONIST, THE PREPARATION AND USE THEREOF CASCADE PHARMACEUTICALS, INC. (CN) 2023-09-21 US disclosed
US-20230295141-A1 FXR SMALL MOLECULE AGONIST, THE PREPARATION AND USE THEREOF CASCADE PHARMACEUTICALS, INC. (CN) 2023-09-21 US disclosed
EP-4245365-A1 A FXR SMALL MOLECULE AGONIST, THE PREPARATION AND USE THEREOF Cascade Pharmaceuticals, Inc. (CN) 2023-09-20 EP disclosed
US-11718619-B2 Isoxazolyl-carbonyloxy azabicyclo[3.2.1]octanyl compounds as FXR activators ARDELYX, INC. (US) 2023-08-08 US disclosed
US-11718619-B2 Isoxazolyl-carbonyloxy azabicyclo[3.2.1]octanyl compounds as FXR activators ARDELYX, INC. (US) 2023-08-08 US disclosed
US-20230139597-A1 HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC CONDITIONS AND DISORDERS ARDELYX, INC. (US) 2023-05-04 US disclosed
WO-2004099164-A1 SUBSTITUTED DIPHENYL ISOXAZOLES, PYRAZOLES AND OXADIAZOLES USEFUL FOR TREATING HCV INFECTION RIGEL PHARMACEUTICALS, INC. (US) 2004-11-18 WO disclosed
WO-2004099165-A2 HETEROCYCLIC COMPOUNDS AND HYDRO ISOMERS THEREOF RIGEL PHARMACEUTICALS, INC. (US) 2004-11-18 WO disclosed
EP-1451162-A1 SUBSTITUTED DIPHENYL HETEROCYCLES USEFUL FOR TREATING HCV INFECTION Rigel Pharmaceuticals, Inc. (US) 2004-09-01 EP disclosed
US-20040142985-A1 Heterocyclic compounds useful to treat HCV RIGEL PHARMACEUTICALS 2004-07-22 US disclosed
US-6759538-B2 PREVENTION INFECTIONS OF HEPATITIS C VIRUS RIGEL PHARMACEUTICALS, INC. 2004-07-06 US disclosed
US-20030165561-A1 Substituted diphenyl heterocycles useful for treating HCV infection MIDCAP FINANCIAL TRUST 2003-09-04 US disclosed
WO-2003040112-A1 SUBSTITUTED DIPHENYL HETEROCYCLES USEFUL FOR TREATING HCV INFECTION RIGEL PHARMACEUTICALS, INC. (US) 2003-05-15 WO disclosed
EP-0314422-B1 N-PHENYLALKYLBENZAMIDE FUNGICIDES DOWELANCO (US) 1993-07-28 EP disclosed
US-4957533-A THIOAMIDES, AMIDINES ELI LILLY AND COMPANY (US) 1990-09-18 US disclosed
EP-0314422-A2 N-phenylalkylbenzamide fungicides DOWELANCO (US) 1989-05-03 EP 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-20040142985-A1 Heterocyclic compounds useful to treat HCV HAVCR2, PCNA, HCCS ALDH1A1 1236/4885CYP1A2 1370/4885CYP2A6 1426/4885
US-11718619-B2 Isoxazolyl-carbonyloxy azabicyclo[3.2.1]octanyl compounds as FXR activators FXR1, FXR2, NR1H4 ALDH1A1 968/4885CYP1A2 310/4885CYP2A6 493/4885
US-20230295141-A1 FXR SMALL MOLECULE AGONIST, THE PREPARATION AND USE THEREOF FXR1, NR1H4, FXR2 ALDH1A1 2240/4885CYP1A2 168/4885CYP2A6 301/4885
US-20230139597-A1 HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC CONDITIONS AND DISORDERS NR1H4, FXR1, GLP1R ALDH1A1 2057/4885CYP1A2 504/4885CYP2A6 327/4885
US-20230357244-A1 FXR SMALL-MOLECULE AGONIST, AND PREPARATION METHOD THEREFOR AND USE THEREOF FXR1, NR1H4, FXR2 ALDH1A1 2161/4885CYP1A2 317/4885CYP2A6 464/4885
US-20240262799-A1 ISOXAZOLE DERIVATIVES AS NUCLEAR RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H3, NR1H2 ALDH1A1 1135/4885CYP1A2 195/4885CYP2A6 286/4885
US-11912674-B2 Isoxazole derivatives as nuclear receptor agonists and uses thereof NR1H4, NR1H3, NR1H2 ALDH1A1 840/4885CYP1A2 203/4885CYP2A6 384/4885
US-20030165561-A1 Substituted diphenyl heterocycles useful for treating HCV infection HAVCR2, HCCS, PCNA ALDH1A1 984/4885CYP1A2 1064/4885CYP2A6 1342/4885

“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.