SCHEMBL8008337

SCHEMBL8008337

CC(=O)NC1Cc2ccc([N+](=O)[O-])cc2C1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.59
CA2 P00918 3/20 0.59
CA12 O43570 2/20 0.59
CA7 P43166 2/20 0.59
CA14 Q9ULX7 2/20 0.59
CA9 Q16790 1/20 0.58
PNMT P11086 8/20 0.50
ADRA2A P08913 5/20 0.50
ADRA2B P18089 3/20 0.50
ADRA2C P18825 3/20 0.50
MTNR1A P48039 2/20 0.47
MTNR1B P49286 2/20 0.47

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
SCHEMBL3803914 1.00 CA1 (0.59) CA1CA2CA12CA7CA14
SCHEMBL8370641 0.87 PNMT (0.49) PNMTADRA2AADRA2BADRA2C
SCHEMBL6558753 0.85 CA12 (0.61) CA1CA2CA12CA7CA14
SCHEMBL6202191 0.82 DRD2 (0.58) CA1CA2CA12CA7CA14
SCHEMBL3441770 0.82 PNMT (0.50) PNMTADRA2AADRA2BADRA2C
SCHEMBL27744228 0.82 ADRA2A (0.50) CA1CA2CA12CA7CA14
SCHEMBL9716393 0.81 PNMT (0.55) PNMTADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL9716433 0.80 PNMT (0.54) PNMTADRA2AADRA2BADRA2C
SCHEMBL2076586 0.79 WDR5 (0.51) CA1CA2CA12CA7CA14
SCHEMBL6560917 0.79 GAA (0.54) CA1CA2CA12CA7CA14

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
CN-101952266-A Compound (R)-N*6*-ethyl-6,7-dihydro-5H-indeno [5,6-d] thiazole-2,6-diamines and as the purposes of antipsychotic drug ASTRAZENECA AB 2011-01-19 CN disclosed
WO-2009105026-A1 COMPOUND (R) -N*6*-ETHYL-6, 7-DIHYDRO-5H-INDENO (5, 6- D) THIAZOLE-2, 6-DIAMINE AND THE USE AS ANTIPSYCHOTICS ASTRAZENECA AB (SE) 2009-08-27 WO disclosed
US-20090215841-A1 D2 Receptor Ligand-078 ASTRAZENECA AB (SE) 2009-08-27 US disclosed
US-4963587-A ANTICOAGULANT TANABE SEIYAKU CO., LTD. (JP) 1990-10-16 US disclosed
EP-0377977-A1 Glycine derivatives and preparation thereof TANABE SEIYAKU CO., LTD. (JP) 1990-07-18 EP disclosed
US-4192888-A Pharmaceutical compositions and method of inhibiting phenylethanolamine N-methyltransferase SMITHKLINE CORPORATION (US) 1980-03-11 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-20090215841-A1 D2 Receptor Ligand-078 TACR2, TACR1, GPR174 CA1 2762/4885CA2 2828/4885CA12 3033/4885

“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.