SCHEMBL283317

SCHEMBL283317

CC(C)c1ccc(C[NH])cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.52
PYCR1 P32322 1/20 0.42
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
TYR P14679 2/20 0.41
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.38
TRPA1 O75762 1/20 0.38
PTGS1 P23219 1/20 0.38
CACNA1C Q13936 1/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL2643269 0.80 NOS3 (0.41) IDO1LMNAPTGS1
SCHEMBL2642757 0.80 ADRB2 (0.50) IDO1
SCHEMBL3956146 0.78 IDO1 (0.56) IDO1PYCR1BCHEACHEL3MBTL1
SCHEMBL10729588 0.78 IDO1 (0.56) IDO1PYCR1L3MBTL1TYRRAB9A
SCHEMBL28321934 0.77 IDO1 (0.50) IDO1PYCR1BCHEACHEL3MBTL1
SCHEMBL104124 0.76 TYR (0.58) IDO1TYRRAB9ANPC1LMNA
SCHEMBL4991113 0.76 NOS1 (0.32)
SCHEMBL139408 0.76 L3MBTL1 (0.56) IDO1PYCR1L3MBTL1TYRRAB9A
SCHEMBL13652552 0.75 IDO1 (0.48) IDO1PYCR1BCHEACHEL3MBTL1
SCHEMBL4447010 0.75 IDO1 (0.48) IDO1PYCR1BCHEACHEL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050080261-A1 Purine inhibitors of cyclin dependent kinase 2 and IkappaB-alpha LUM ROBERT T (US) 2005-04-14 US claimed
EP-0635508-B1 TETRAHYDROPYRIDINE DERIVATIVE HAVING SUBSTITUENTS ON THREE RINGS ASAHI CHEMICAL IND (JP) 1999-10-06 EP claimed
US-5621103-A 3-(SUBSTITUTED METHYLAMINOCARBONYL)-1,2,3,4-TETRAHYDRO-(1)BENZOTHIENO(2,3-C) PYRIDINES; ANXIOLYTIC AGENTS; LEARNING ENHANCEMENT ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1997-04-15 US claimed
EP-0635508-A1 TETRAHYDROPYRIDINE DERIVATIVE HAVING SUBSTITUENTS ON THREE RINGS Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1995-01-25 EP claimed
CN-114423742-B Benzotriazole-based compound, light absorber and resin composition 三井化学株式会社 2024-05-28 CN disclosed
CN-117466830-A Benzotriazole-based compound, light absorber and resin composition 三井化学株式会社 2024-01-30 CN disclosed
WO-2024005030-A1 DIPHENYLETHENE-BASED COMPOUND, LIGHT ABSORBER, RESIN COMPOSITION, AND USE THEREOF 山本化成株式会社 2024-01-04 WO disclosed
CN-111315800-B Triazine ring-containing polymer and composition comprising same 日产化学株式会社 2022-05-31 CN disclosed
CN-114423742-A Benzotriazole compound, light absorber, and resin composition 三井化学株式会社 2022-04-29 CN disclosed
CN-107849425-B Solvent-free photocurable adhesive composition 日产化学工业株式会社 2021-09-21 CN disclosed
CN-107849392-B Film-forming composition for inkjet coating 日产化学工业株式会社 2021-07-13 CN disclosed
US-20210179779-A1 TRIAZINE-RING-CONTAINING POLYMER AND COMPOSITION INCLUDING SAME NISSAN CHEMICAL CORPORATION (JP) 2021-06-17 US disclosed
US-20030091931-A1 Benzbisazole compound and optical recording medium containing the compound MITSUI CHEMICALS, INC. (JP) 2003-05-15 US disclosed
EP-1262966-A2 Optical recording medium and novel azaporphyrin compound Mitsui Chemicals, Inc. (JP) 2002-12-04 EP disclosed
EP-1247655-A1 OPTICAL RECORDING MEDIUM AND NOVEL AZAPORPHYRIN COMPOUNDS Mitsui Chemicals, Inc. (JP) 2002-10-09 EP disclosed
EP-1245571-A1 BENZBISAZOLE COMPOUND AND OPTICAL RECORDING MEDIUM CONTAINING THE COMPOUND Mitsui Chemicals, Inc. (JP) 2002-10-02 EP disclosed
EP-1180765-A1 Optical recording medium and porphycene compound Mitsui Chemicals, Inc. (JP) 2002-02-20 EP disclosed
EP-0635508-B1 TETRAHYDROPYRIDINE DERIVATIVE HAVING SUBSTITUENTS ON THREE RINGS ASAHI CHEMICAL IND (JP) 1999-10-06 EP disclosed
US-5621103-A 3-(SUBSTITUTED METHYLAMINOCARBONYL)-1,2,3,4-TETRAHYDRO-(1)BENZOTHIENO(2,3-C) PYRIDINES; ANXIOLYTIC AGENTS; LEARNING ENHANCEMENT ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1997-04-15 US disclosed
EP-0635508-A1 TETRAHYDROPYRIDINE DERIVATIVE HAVING SUBSTITUENTS ON THREE RINGS Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1995-01-25 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 (2 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-20050080261-A1 Purine inhibitors of cyclin dependent kinase 2 and IkappaB-alpha IKBKB, NFKB1, CDK4 IDO1 2053/4885PYCR1 3347/4885BCHE 4217/4885
US-20030091931-A1 Benzbisazole compound and optical recording medium containing the compound DAO, CACNA1I, KCNB2 IDO1 552/4885PYCR1 2904/4885BCHE 1055/4885

“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.