SCHEMBL6936134

SCHEMBL6936134

Cc1ccccc1C=CC(=O)c1ccncc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 7/20 0.67
CYP1A2 P05177 7/20 0.67
CYP2D6 P10635 7/20 0.67
CYP1B1 Q16678 7/20 0.67
MAPT P10636 4/20 0.64
HPGD P15428 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
ALDH1A1 P00352 1/20 0.64
NPY1R P25929 1/20 0.64
MAPK1 P28482 1/20 0.64
NPY2R P49146 1/20 0.64
PFKFB3 Q16875 3/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
LMNA P02545 2/20 0.57
PSMD14 O00487 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
CA9 Q16790 2/20 0.52
CA2 P00918 2/20 0.52
HDAC6 Q9UBN7 1/20 0.51

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
SCHEMBL1225684 0.86 RAB9A (0.63) CYP1B1MAPTHPGDSMN1; SMN2ALDH1A1
SCHEMBL31398692 0.86 RAB9A (0.63) CYP1B1MAPTHPGDSMN1; SMN2ALDH1A1
SCHEMBL7660164 0.86 RAB9A (0.63) CYP1B1MAPTHPGDSMN1; SMN2ALDH1A1
SCHEMBL351853 0.86 RAB9A (0.63) CYP1B1MAPTHPGDSMN1; SMN2ALDH1A1
SCHEMBL10050575 0.83 CYP1B1 (0.65) CYP1A1CYP1A2CYP2D6CYP1B1MAPT
SCHEMBL9567804 0.83 MAPT (0.70) CYP1A1CYP1A2CYP2D6CYP1B1MAPT
SCHEMBL13203457 0.83 RAB9A (0.51) CYP1A1CYP1B1MAPTALDH1A1MAPK1
SCHEMBL29018468 0.82 MAPT (0.67) CYP1B1MAPTHPGDSMN1; SMN2MAPK1
SCHEMBL13276183 0.81 CYP1B1 (0.61) CYP1B1MAPTALDH1A1MAPK1MEN1
SCHEMBL17536853 0.81 BCHE (0.68) CYP1A1CYP1A2CYP2D6CYP1B1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6649604-B2 Analgesics; antidiabetic agents; antiinflamamtory agents AMGEN INC. 2003-11-18 US disclosed
US-20030073704-A1 Substituted pyridone compounds and methods of use AMGEN INC. 2003-04-17 US disclosed
US-6420385-B1 INFLAMMATORY, PAIN AND DIABETES DISEASES, AMGEN INC. 2002-07-16 US disclosed
US-6096753-A Substituted pyrimidinone and pyridone compounds and methods of use AMGEN INC. (US) 2000-08-01 US disclosed
EP-0948496-A2 SUBSTITUTED PYRIMIDINONE AND PYRIDONE COMPOUNDS AND METHODS OF USE Amgen inc. (US) 1999-10-13 EP disclosed
WO-1998024780-A2 SUBSTITUTED PYRIMIDINONE AND PYRIDINONE COMPOUNDS AND THEIR USE AMGEN INC. (US) 1998-06-11 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 (1 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-20030073704-A1 Substituted pyridone compounds and methods of use IL6, IL1B, IL1A CYP1A1 201/4885CYP1A2 276/4885CYP2D6 33/4885

“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.