SCHEMBL4582070

SCHEMBL4582070

CC(C)c1ccncc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 10/20 0.50
KDM6B O15054 5/20 0.49
KDM4D Q6B0I6 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 2/20 0.48
KDM4A O75164 2/20 0.48
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
THRB P10828 1/20 0.48
KMT2A Q03164 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TGFBR1 P36897 3/20 0.43
SIRT3 Q9NTG7 1/20 0.43
APP P05067 1/20 0.42
GAA P10253 1/20 0.42
HCAR3 P49019 1/20 0.42
HCAR2 Q8TDS4 1/20 0.42
RPS6KA3 P51812 1/20 0.41
ACVR1B P36896 2/20 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
Hydrochloric Acid SCHEMBL5740286 0.98 KDM4C (0.49) KDM4CKDM6BKDM4DTDP1ALDH1A1
SCHEMBL20462852 0.85 KDM4C (0.46) KDM4CKDM6BKDM4DTDP1ALDH1A1
SCHEMBL17465921 0.85 KDM4C (0.53) KDM4CKDM6BKDM4DTDP1ALDH1A1
SCHEMBL3818665 0.85 SIRT3 (0.43) KDM4CKDM6BTDP1ALDH1A1TGFBR1
SCHEMBL6215853 0.83 SIRT3 (0.59) KDM4CKDM6BKDM4DTDP1ALDH1A1
SCHEMBL30716135 0.82 KDM4C (0.44) KDM4CKDM6BKDM4DTDP1ALDH1A1
SCHEMBL26850357 0.82 KDM4C (0.44) KDM4CKDM6BKDM4DTDP1ALDH1A1
SCHEMBL20053816 0.82 KDM4C (0.48) KDM4CKDM6BKDM4DTDP1ALDH1A1
SCHEMBL30716134 0.82 KDM4C (0.44) KDM4CKDM6BKDM4DTDP1ALDH1A1
SCHEMBL30010471 0.82 KDM4C (0.46) KDM4CKDM6BKDM4DTDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008049651-A1 PERFORMANCE-ENHANCED COSMETIC COMPOSITIONS WITH PURINE AND/OR PURINE DERIVATIVES HENKEL AG & CO. KGAA (DE) 2008-05-02 WO claimed
EP-1880705-A2 Brightening and/or colouring composition with improved product sensation HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-01-23 EP claimed
EP-1842573-A2 Brightening and/or colouring agent with improved product sensation Henkel Kommanditgesellschaft auf Aktien (DE) 2007-10-10 EP claimed
EP-1633334-B1 TOPICAL ADMINISTRATION OF VASOACTIVE VITAMIN B3 COMPOUNDS FOR PROMOTING SLEEP PROCTER & GAMBLE (US) 2006-11-15 EP claimed
US-20210363155-A1 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2021-11-25 US disclosed
US-11028098-B2 4-phenylpiperidines, their preparation and use THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2021-06-08 US disclosed
US-10570148-B2 N-alkyl-2-phenoxyethanamines, their preparation and use THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2020-02-25 US disclosed
US-10421720-B2 Octahydrocyclopentapyrroles, their preparation and use THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2019-09-24 US disclosed
US-10273243-B2 4-phenylpiperidines, their preparation and use THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2019-04-30 US disclosed
US-20190031681-A1 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2019-01-31 US disclosed
US-20180222919-A1 N-ALKYL-2-PHENOXYETHANAMINES, THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2018-08-09 US disclosed
US-9951075-B2 Pteridines useful as HCV inhibitors and methods for the preparation thereof JANSSEN SCIENCES IRELAND UC (IE) 2018-04-24 US disclosed
EP-1684754-A1 HMG-COA REDUCTASE INHIBITORS AND METHOD Bristol-Myers Squibb Company (US) 2006-08-02 EP disclosed
EP-1678138-A1 PYRIDINE COMPOUNDS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE IV Takeda Pharmaceutical Company Limited (JP) 2006-07-12 EP disclosed
WO-2005051386-A1 HMG-COA REDUCTASE INHIBITORS AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2005-06-09 WO disclosed
WO-2005042488-A1 PYRIDINE COMPOUNDS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE IV TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-12 WO disclosed
US-20040209924-A1 Substituted 3-pyridyl imidazoles as c17,20 lyase inhibitors BAYER PHARMACEUTICALS CORPORATION 2004-10-21 US disclosed
US-20040198773-A1 Substituted 3-pyridyl oxazoles as c17,20 lyase inhibitors BAYER PHARMACEUTICALS CORPORATION 2004-10-07 US disclosed
WO-2003027107-A1 SUBSTITUTED 3-PYRIDYL OXAZOLES AS C17,20 LYASE INHIBITORS BAYER PHARMACEUTICALS CORPORATION (US) 2003-04-03 WO disclosed
WO-2003027096-A1 SUBSTITUTED 3-PYRIDYL IMIDAZOLES AS C17,20 LYASE INHIBITORS BAYER PHARMACEUTICALS CORPORATION (US) 2003-04-03 WO 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 (9 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-10273243-B2 4-phenylpiperidines, their preparation and use HTR3C, HRH4, CYP4F3 KDM4C 403/4885KDM6B 2843/4885KDM4D 656/4885
US-10570148-B2 N-alkyl-2-phenoxyethanamines, their preparation and use HRH3, CBR3, KCNH3 KDM4C 226/4885KDM6B 1762/4885KDM4D 952/4885
US-20210363155-A1 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE HTR3C, HRH4, CYP4F3 KDM4C 452/4885KDM6B 2984/4885KDM4D 729/4885
US-11028098-B2 4-phenylpiperidines, their preparation and use HTR3C, HRH4, CYP4F3 KDM4C 365/4885KDM6B 2825/4885KDM4D 586/4885
US-20190031681-A1 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE HTR3C, HRH4, CYP4F3 KDM4C 365/4885KDM6B 2825/4885KDM4D 586/4885
US-10421720-B2 Octahydrocyclopentapyrroles, their preparation and use CLN6, ALDH1A2, C1S KDM4C 3968/4885KDM6B 4246/4885KDM4D 4527/4885
US-20180222919-A1 N-ALKYL-2-PHENOXYETHANAMINES, THEIR PREPARATION AND USE HRH3, CBR3, KCNH3 KDM4C 226/4885KDM6B 1762/4885KDM4D 952/4885
US-20040198773-A1 Substituted 3-pyridyl oxazoles as c17,20 lyase inhibitors CYP17A1, HSD17B12, DCLRE1B KDM4C 442/4885KDM6B 642/4885KDM4D 2297/4885
US-20040209924-A1 Substituted 3-pyridyl imidazoles as c17,20 lyase inhibitors CDC20, IDH1, ALDH18A1 KDM4C 168/4885KDM6B 92/4885KDM4D 651/4885

“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.