SCHEMBL4871529

SCHEMBL4871529

N=Cc1c(Cl)cccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
CYP1A2 P05177 2/20 0.43
CYP2A6 P11509 2/20 0.43
TSHR P16473 2/20 0.42
LMNA P02545 1/20 0.42
HSP90AA1 P07900 1/20 0.41
TAAR1 Q96RJ0 2/20 0.40
SLC22A1 O15245 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
CHRM1 P11229 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
MAOA P21397 1/20 0.40
DRD1 P21728 1/20 0.40
TBXA2R P21731 1/20 0.40
SLC6A2 P23975 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
SCHEMBL19871757 0.83 TSHR (0.48) ALDH1A1KMT2AMEN1TDP1CYP1A2
SCHEMBL8186922 0.83 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1TDP1CYP1A2
SCHEMBL19880549 0.78 KMT2A (0.45) ALDH1A1KMT2AMEN1TDP1HSP90AA1
SCHEMBL19779677 0.78 CYP1A2 (0.42) ALDH1A1KMT2AMEN1TDP1CYP1A2
SCHEMBL6705063 0.75 ALDH1A1 (0.60) ALDH1A1KMT2AMEN1TDP1CYP1A2
SCHEMBL172044 0.74 CYP3A4 (0.36) ALDH1A1KMT2AMEN1TDP1CYP2A6
SCHEMBL8579781 0.73 ALDH1A1 (0.57) ALDH1A1KMT2AMEN1TDP1CYP1A2
SCHEMBL28646735 0.71 SLC22A1 (0.50) ALDH1A1KMT2AMEN1TDP1CYP1A2
SCHEMBL5781095 0.71 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1TDP1CYP1A2
SCHEMBL21600440 0.71 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1TDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1551396-A1 PIN1-MODULATING COMPOUNDS AND METHODS OF USE THEREOF Pintex Pharmaceuticals, Inc. (US) 2005-07-13 EP claimed
WO-2004093803-A2 PHOTOCHEMOTHERAPEUTIC COMPOUNDS FOR USE IN TREATMENT OF PIN1-ASSOCIATED STATES PINTEX PHARMACEUTICALS, INC. (US) 2004-11-04 WO claimed
US-20040214872-A1 Pin1-modulating compounds and methods of use thereof PINTEX PHARMACEUTICALS, INC. 2004-10-28 US claimed
WO-2004028535-A1 PIN1-MODULATING COMPOUNDS AND METHODS OF USE THEREOF PINTEX PHARMACEUTICALS, INC. (US) 2004-04-08 WO claimed
US-11912674-B2 Isoxazole derivatives as nuclear receptor agonists and uses thereof IL DONG PHARMACEUTICAL CO., LTD. (KR) 2024-02-27 US disclosed
US-20210188790-A1 ISOXAZOLE DERIVATIVES AS NUCLEAR RECEPTOR AGONISTS AND USES THEREOF ILDONG PHARMACEUTICAL CO LTD (KR) 2021-06-24 US disclosed
US-10988449-B2 Isoxazole derivatives as nuclear receptor agonists and uses thereof IL DONG PHARMACEUTICAL CO., LTD. (KR) 2021-04-27 US disclosed
US-20200115349-A1 ISOXAZOLE DERIVATIVES AS NUCLEAR RECEPTOR AGONISTS AND USES THEREOF IL DONG PHARMACEUTICAL CO., LTD. (KR) 2020-04-16 US disclosed
WO-2010104967-A1 SULFONAMIDE CONTAINING COMPOUNDS AND USES THEREOF ELIXIR PHARMACEUTICALS, INC. (US) 2010-09-16 WO disclosed
WO-2010104929-A1 SULFONAMIDE CONTAINING COMPOUNDS AND USES THEREOF ELIXIR PHARMACEUTICALS, INC. (US) 2010-09-16 WO disclosed
US-7326790-B2 Diphenylisoxazole compounds and hydro isomers thereof RIGEL PHARMACEUTICALS, INC. (US) 2008-02-05 US disclosed
EP-1620412-A2 HETEROCYCLIC COMPOUNDS AND HYDRO ISOMERS THEREOF Rigel Pharmaceuticals, Inc. (US) 2006-02-01 EP disclosed
EP-1551396-A1 PIN1-MODULATING COMPOUNDS AND METHODS OF USE THEREOF Pintex Pharmaceuticals, Inc. (US) 2005-07-13 EP disclosed
US-20040254227-A1 Heterocyclic compounds and hydro isomers thereof MIDCAP FINANCIAL TRUST 2004-12-16 US disclosed
WO-2004099165-A2 HETEROCYCLIC COMPOUNDS AND HYDRO ISOMERS THEREOF RIGEL PHARMACEUTICALS, INC. (US) 2004-11-18 WO disclosed
WO-2004093803-A2 PHOTOCHEMOTHERAPEUTIC COMPOUNDS FOR USE IN TREATMENT OF PIN1-ASSOCIATED STATES PINTEX PHARMACEUTICALS, INC. (US) 2004-11-04 WO disclosed
US-20040214872-A1 Pin1-modulating compounds and methods of use thereof PINTEX PHARMACEUTICALS, INC. 2004-10-28 US disclosed
WO-2004028535-A1 PIN1-MODULATING COMPOUNDS AND METHODS OF USE THEREOF PINTEX PHARMACEUTICALS, INC. (US) 2004-04-08 WO disclosed
US-4027039-A ADMINISTERING AMINOGUANIDINE, GUANIDINE, OR 1-(SEC-BUTYLIDENEAMINO)GUANIDINE AMERICAN HOME PRODUCTS CORPORATION (US) 1977-05-31 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-20200115349-A1 ISOXAZOLE DERIVATIVES AS NUCLEAR RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H3, NR1H2 ALDH1A1 2667/4885KMT2A 4102/4885MEN1 4650/4885
US-20040214872-A1 Pin1-modulating compounds and methods of use thereof PIN1, FKBP14, PIN4 ALDH1A1 4434/4885KMT2A 2626/4885MEN1 3471/4885
US-20040254227-A1 Heterocyclic compounds and hydro isomers thereof HAVCR2, PCNA, HCCS ALDH1A1 491/4885KMT2A 2974/4885MEN1 4165/4885
US-20210188790-A1 ISOXAZOLE DERIVATIVES AS NUCLEAR RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H3, NR1H2 ALDH1A1 840/4885KMT2A 4226/4885MEN1 4826/4885
US-10988449-B2 Isoxazole derivatives as nuclear receptor agonists and uses thereof NR1H4, NR1H3, NR1H2 ALDH1A1 2667/4885KMT2A 4102/4885MEN1 4650/4885
US-11912674-B2 Isoxazole derivatives as nuclear receptor agonists and uses thereof NR1H4, NR1H3, NR1H2 ALDH1A1 840/4885KMT2A 4226/4885MEN1 4826/4885

“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.