SCHEMBL7637488

SCHEMBL7637488

CCOC(=O)c1cccc(Cl)c1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.59
AR P10275 8/20 0.56
MAPK1 P28482 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
GAA P10253 1/20 0.48
RAB9A P51151 1/20 0.48
PRKCZ Q05513 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GABRA2 P47869 1/20 0.47
GABRB2 P47870 1/20 0.47
NPC1 O15118 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TSHR P16473 1/20 0.45

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
SCHEMBL7644170 0.84 TSHR (0.53) MAPTMAPK1NPSR1GAASMN1; SMN2
SCHEMBL7639368 0.83 TSHR (0.59) MAPTMAPK1NPSR1TDP1GAA
SCHEMBL7642334 0.81 GAA (0.54) MAPTMAPK1NPSR1TDP1GAA
SCHEMBL7635078 0.79 CASP1 (0.55) MAPTMAPK1NPSR1L3MBTL1TSHR
SCHEMBL7640668 0.79 MAPT (0.57) MAPTARGAARAB9APRKCZ
SCHEMBL17707781 0.79 TSHR (0.53) MAPTMAPK1NPSR1GAARAB9A
SCHEMBL2650272 0.78 MAPT (0.57) MAPTARGAARAB9APRKCZ
SCHEMBL9979815 0.76 AR (0.64) MAPTARGAARAB9APRKCZ
SCHEMBL8490992 0.76 TDP1 (0.70) MAPTMAPK1NPSR1TDP1GAA
SCHEMBL4420346 0.76 SMN1; SMN2 (0.64) MAPTMAPK1NPSR1TDP1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6340772-B2 AROMATIZATION OF CYCLOHEXENONE DERIVATIVES VIA (CHLORO)CYCLOHEXADIENE NIPPON KAYAKU CO., LTD. (JP) 2002-01-22 US disclosed
US-20010020112-A1 Process for preparing (hetero) aromatic substituted benzene derivatives TOYA TETSUYA (JP) 2001-09-06 US disclosed
US-6271418-B1 AROMATIZATION OF CYCLOHEXENONE DERIVATIVES VIA (CHLORO)CYCLOHEXADIENE DERIVATIVES. NIPPON KAYAKU CO., LTD. (JP) 2001-08-07 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 (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-20010020112-A1 Process for preparing (hetero) aromatic substituted benzene derivatives AHR, CYP3A4, CYP4B1 MAPT 4234/4885AR 686/4885MAPK1 3957/4885

“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.