Sugi Predict

Sugi Predict / Compounds / SCHEMBL4568037

SCHEMBL4568037

SCHEMBL4568037

CC(C)(C)c1cc2ccc(Cl)cc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 1/20 0.49
▸ AHR P35869 2/20 0.48
▸ CMA1 P23946 1/20 0.48
▸ ALOX15 P16050 7/20 0.47
▸ F11 P03951 1/20 0.44
▸ F7 P08709 1/20 0.44
▸ LTA4H P09960 1/20 0.44
▸ F3 P13726 1/20 0.44
▸ NR4A2 P43354 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ NOS1 P29475 1/20 0.41
▸ DYRK1A Q13627 1/20 0.41
▸ HRH4 Q9H3N8 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ PDGFRB P09619 1/20 0.40
▸ FLT3 P36888 1/20 0.40
▸ HPGD P15428 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ TSHR P16473 1/20 0.39

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
SCHEMBL13923569 0.84 LOXL2 (0.50) DAOAHRCMA1F11F7
SCHEMBL15371346 0.80 DAO (0.42) DAOAHRCMA1ALOX15F11
SCHEMBL4568034 0.80 DAO (0.49) DAOALDH1A1LMNAFLT3HPGD
SCHEMBL8957566 0.80 KIF11 (0.46) ALOX15ALDH1A1DYRK1AFLT3HPGD
SCHEMBL614723 0.79 LMNA (0.56) DAOAHRCMA1ALOX15F11
SCHEMBL4568030 0.78 DAO (0.47) DAOAHRFLT3HPGD
SCHEMBL3705264 0.78 TYR (0.47) DAOALOX15ALDH1A1HRH4LMNA
SCHEMBL398009 0.78 CYP2A6 (0.44) ALDH1A1HRH4HPGDSMN1; SMN2POLB
SCHEMBL22330349 0.78 AR (0.39) ALDH1A1LMNAHPGDSMN1; SMN2TSHR
SCHEMBL4014895 0.76 MEN1 (0.53) ALDH1A1HRH4PDGFRBFLT3HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230312511-A1 SELECTIVE D3 DOPAMINE RECEPTOR AGONISTS AND METHODS OF THEIR USE THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2023-10-05 — — US disclosed
US-20230312511-A1 SELECTIVE D3 DOPAMINE RECEPTOR AGONISTS AND METHODS OF THEIR USE THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2023-10-05 — — US disclosed
US-20210323941-A1 SELECTIVE D3 DOPAMINE RECEPTOR AGONISTS AND METHODS OF THEIR USE THE UNIVERSITY OF KANSAS 2021-10-21 — — US disclosed
US-20210032207-A1 QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-02-04 — — US disclosed
US-20190077762-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2019-03-14 — — US disclosed
EP-3318557-A2 QUINOLONE COMPOUND Otsuka Pharmaceutical Co., Ltd. (JP) 2018-05-09 — — EP disclosed
US-20170362180-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2017-12-21 — — US disclosed
US-20170216252-A1 ANTI-BACTERIAL PYRUVATE KINASE MODULATOR COMPOUNDS, COMPOSITIONS, USES AND METHODS SIMON FRASER UNIVERSITY (CA) 2017-08-03 — — US disclosed
US-20160340314-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2016-11-24 — — US disclosed
US-9440951-B2 Quinolone compound OTSUKA PHARMACEUTICAL CO., LTD (JP) 2016-09-13 — — US disclosed
US-20150239865-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2015-08-27 — — US disclosed
US-9067887-B2 Quinolone compound OTSUKA PHARMACEUTICAL CO., LTD (JP) 2015-06-30 — — US disclosed
US-20140179675-A1 QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-06-26 — — US disclosed
EP-2474530-A1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2012-07-11 — — EP disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 — — US disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 — — 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 (10 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-20150239865-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 DAO 297/4885AHR 937/4885CMA1 1003/4885
US-20170362180-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 DAO 297/4885AHR 937/4885CMA1 1003/4885
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF PTGER1, CYSLTR1, LTB4R DAO 3529/4885AHR 933/4885CMA1 124/4885
US-20210323941-A1 SELECTIVE D3 DOPAMINE RECEPTOR AGONISTS AND METHODS OF THEIR USE SLC6A3, DRD3, CHRM2 DAO 1368/4885AHR 2790/4885CMA1 4544/4885
US-20160340314-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 DAO 297/4885AHR 937/4885CMA1 1003/4885
US-20230312511-A1 SELECTIVE D3 DOPAMINE RECEPTOR AGONISTS AND METHODS OF THEIR USE SLC6A3, DRD3, DRD2 DAO 1418/4885AHR 2860/4885CMA1 4591/4885
US-20170216252-A1 ANTI-BACTERIAL PYRUVATE KINASE MODULATOR COMPOUNDS, COMPOSITIONS, USES AND METHODS PDK1, PDK3, PDK2 DAO 940/4885AHR 4643/4885CMA1 3879/4885
US-20190077762-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 DAO 316/4885AHR 1011/4885CMA1 1057/4885
US-20140179675-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 DAO 297/4885AHR 937/4885CMA1 1003/4885
US-20210032207-A1 QUINOLONE COMPOUND HAX1, NQO2, CXCR1 DAO 264/4885AHR 1042/4885CMA1 1107/4885

“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.