SCHEMBL618684

SCHEMBL618684

CC(C)(C)c1ccc(N)c([N+](=O)[O-])c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.59
ALDH1A1 P00352 6/20 0.58
TDP1 Q9NUW8 5/20 0.58
MAPT P10636 4/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
POLB P06746 2/20 0.58
CYP3A4 P08684 2/20 0.58
ALOX15 P16050 1/20 0.58
PKM P14618 2/20 0.50
LMNA P02545 2/20 0.50
NPC1 O15118 1/20 0.49
GLA P06280 1/20 0.49
MAPK1 P28482 1/20 0.49
CASP3 P42574 1/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49

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
SCHEMBL12415749 0.90 TSHR (0.53) TSHRALDH1A1TDP1MAPTMEN1
SCHEMBL9387590 0.89 TSHR (0.59) TSHRALDH1A1TDP1MAPTMEN1
SCHEMBL30807893 0.89 TDP1 (0.62) TSHRALDH1A1TDP1MAPTMEN1
SCHEMBL2189138 0.88 TSHR (0.54) TSHRALDH1A1TDP1MAPTMEN1
SCHEMBL6297719 0.85 TDP1 (0.58) TSHRALDH1A1TDP1MAPTMEN1
SCHEMBL15157099 0.83 TSHR (0.53) TSHRALDH1A1TDP1MAPTMEN1
SCHEMBL6222813 0.82 TSHR (0.55) TSHRALDH1A1TDP1MAPTCYP3A4
SCHEMBL10385267 0.82 TSHR (0.51) TSHRALDH1A1TDP1MAPTMEN1
SCHEMBL9913609 0.82 TSHR (0.51) TSHRALDH1A1TDP1MAPTMEN1
SCHEMBL10360037 0.82 TSHR (0.51) TSHRALDH1A1TDP1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9738679-B2 Methods of synthesizing substituted purine compounds Epizyme, Inc. (US) 2017-08-22 US claimed
US-20160024134-A1 METHODS OF SYNTHESIZING SUBSTITUTED PURINE COMPOUNDS Epizyme, Inc. 2016-01-28 US claimed
EP-2968387-A2 METHODS OF SYNTHESIZING SUBSTITUTED PURINE COMPOUNDS Epizyme, Inc. (US) 2016-01-20 EP claimed
WO-2014152566-A2 METHODS OF SYNTHESIZING SUBSTITUTED PURINE COMPOUNDS Epizyme, Inc. (US) 2014-09-25 WO claimed
US-8569356-B2 Cyclin dependent kinase inhibitors UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2013-10-29 US claimed
US-20250282736-A1 SMALL MOLECULE MODULATORS OF HUMAN PREGNANE X RECEPTOR ST JUDE CHILDRENS RES HOSPITAL (US) 2025-09-11 US disclosed
US-12043634-B2 Metal complexes, methods of making the same, and uses thereof THE UNIVERSITY OF MANITOBA (CA) 2024-07-23 US disclosed
WO-2023205344-A1 SMALL MOLECULE MODULATORS OF HUMAN PREGNANE X RECEPTOR ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2023-10-26 WO disclosed
US-20230287033-A1 METHODS OF SYNTHESIZING SUBSTITUTED PURINE COMPOUNDS Epizyme, Inc. 2023-09-14 US disclosed
US-20230287033-A1 METHODS OF SYNTHESIZING SUBSTITUTED PURINE COMPOUNDS Epizyme, Inc. 2023-09-14 US disclosed
US-11753433-B2 Methods of synthesizing substituted purine compounds Epizyme, Inc. (US) 2023-09-12 US disclosed
US-11753433-B2 Methods of synthesizing substituted purine compounds Epizyme, Inc. (US) 2023-09-12 US disclosed
EP-0039367-A4 UV-ABSORBING COMPOUNDS AND PHOTOGRAPHIC ELEMENTS CONTAINING THEM. MINNESOTA MINING & MFG (US) 1982-07-12 EP disclosed
US-4323633-A BUTYLATED 2-HYDROXYPHENYL BENZOTRIAZOLE MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1982-04-06 US disclosed
EP-0039367-A1 UV-ABSORBING COMPOUNDS AND PHOTOGRAPHIC ELEMENTS CONTAINING THEM MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1981-11-11 EP disclosed
WO-1981001473-A1 UV-ABSORBING COMPOUNDS AND PHOTOGRAPHIC ELEMENTS CONTAINING THEM MINNESOTA MINING & MFG (US) 1981-05-28 WO disclosed
US-4074046-A REACTING NITROGENEOUS COMPOUND WITH CARBON MONOXIDE AMERICAN CYANAMID COMPANY (US) 1978-02-14 US disclosed
US-4009994-A Process and product of optical brightening with quaternized benzofuranyl-benzimidazoles CIBA-GEIGY CORPORATION (US) 1977-03-01 US disclosed
US-3998804-A PROCESS FOR COUPLING OF WATER-INSOLUBLE 2,4-DISUBSTITUTED PHENOLS WITH DIAZOTIZED O-NITROANILINES CIBA-GEIGY CORPORATION (US) 1976-12-21 US disclosed
US-3940417-A Quaternised benzofuranyl-benzimidazoles CIBA-GEIGY CORPORATION (US) 1976-02-24 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 (5 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-12043634-B2 Metal complexes, methods of making the same, and uses thereof SOD1, CA2, SLC6A6 TSHR 4578/4885ALDH1A1 1422/4885TDP1 1300/4885
US-20160024134-A1 METHODS OF SYNTHESIZING SUBSTITUTED PURINE COMPOUNDS DOT1L, MECP2, TDP1 TSHR 3824/4885ALDH1A1 652/4885TDP1 3/4885
US-11753433-B2 Methods of synthesizing substituted purine compounds DOT1L, MECP2, TDP1 TSHR 3824/4885ALDH1A1 652/4885TDP1 3/4885
US-20250282736-A1 SMALL MOLECULE MODULATORS OF HUMAN PREGNANE X RECEPTOR NR1H4, NR1I2, NR1I3 TSHR 437/4885ALDH1A1 3469/4885TDP1 3646/4885
US-20230287033-A1 METHODS OF SYNTHESIZING SUBSTITUTED PURINE COMPOUNDS DOT1L, MECP2, TDP1 TSHR 3824/4885ALDH1A1 652/4885TDP1 3/4885

“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.