SCHEMBL3971066

SCHEMBL3971066

CN(C)CCNS(=O)(=O)c1cc[c]cc1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.66
NPSR1 Q6W5P4 1/20 0.66
CA12 O43570 1/20 0.55
CA2 P00918 1/20 0.55
CA9 Q16790 1/20 0.55
ALOX15 P16050 1/20 0.54
ALDH1A1 P00352 5/20 0.47
SIGMAR1 Q99720 2/20 0.47
IKBKB O14920 1/20 0.46
CHUK O15111 1/20 0.46
NEK1 Q96PY6 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
NAMPT P43490 1/20 0.45
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
RECQL P46063 1/20 0.44
KMT2A Q03164 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL3970904 0.90 CA12 (0.69) TSHRNPSR1CA12CA2CA9
SCHEMBL3974097 0.83 SIGMAR1 (0.69) ALDH1A1SIGMAR1NEK1KMT2A
SCHEMBL3143577 0.82 NPSR1 (0.70) TSHRNPSR1CA12CA2CA9
SCHEMBL7506700 0.81 SIGMAR1 (0.50) TSHRNPSR1CA12CA2CA9
SCHEMBL1348425 0.81 TSHR (0.73) TSHRNPSR1CA12CA2CA9
SCHEMBL6130639 0.81 CA12 (0.81) TSHRNPSR1CA12CA2CA9
SCHEMBL7014515 0.80 CA12 (0.62) TSHRCA12CA2CA9ALDH1A1
SCHEMBL7028080 0.79 TSHR (0.71) TSHRNPSR1CA12CA2CA9
SCHEMBL19152453 0.79 TSHR (0.71) TSHRNPSR1CA12CA2CA9
SCHEMBL3327488 0.79 TSHR (0.71) TSHRNPSR1CA12CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1301515-B1 NON-GENOTOXIC METALLOPORPHYRINS AS SYNTHETIC CATALYTIC SCAVENGERS OF REACTIVE OXYGEN SPECIES EUKARION INC (US) 2005-01-19 EP claimed
US-20030212067-A1 Matrix metalloprotease inhibitors CASTELHANO ARLINDO LUCAS (US) 2003-11-13 US claimed
CN-1173170-A Matrix metalloprotease inhibitors SYNTEX INC (US) 1998-02-11 CN claimed
EP-0793643-A1 MATRIX METALLOPROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1997-09-10 EP claimed
WO-1996016027-A1 MATRIX METALLOPROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1996-05-30 WO claimed
US-7495040-B2 Actinic ray curable composition, image forming method using the same and ink-jet recording apparatus using the same KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2009-02-24 US disclosed
US-20080012918-A1 Actinic Radiation Curable Ink-Jet Ink, And Image Forming Method And Ink-Jet Recording Apparatus Using The Same KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2008-01-17 US disclosed
US-20050196697-A1 Actinic ray curable composition, image forming method using the same and ink-jet recording apparatus using the same KONICA MINOLTA MEDICAL & GRAPHIC, INC. 2005-09-08 US disclosed
US-20050165123-A1 Actinic ray curable composition, image forming method using the same and ink-jet recording apparatus using the same KONICA MINOLTA MEDICAL & GRAPHIC, INC. 2005-07-28 US disclosed
US-6855719-B1 Imidazo[1,2-A]pyridine and pyrazolo[2,3-A]pyridine derivatives ASTRAZENECA AB (SE) 2005-02-15 US disclosed
CN-1174981-C Imidazo [1, 2-A ] pyridine and pyrazolo [2, 3-A ] pyridine derivatives 2004-11-10 CN disclosed
US-20030212067-A1 Matrix metalloprotease inhibitors CASTELHANO ARLINDO LUCAS (US) 2003-11-13 US disclosed
US-6579890-B1 Matrix metalloprotease inhibitors SYNTEX (U.S.A.) INC. 2003-06-17 US disclosed
CN-1370163-A Imidazo [1,2-A] pyridine and pyrazolo [2,3-a] pyridine derivatives ASTRAZENECA AB (SE) 2002-09-18 CN disclosed
EP-1214318-A1 IMIDAZO[1,2-A]PYRIDINE AND PYRAZOLO[2,3-A]PYRIDINE DERIVATIVES AstraZeneca AB (SE) 2002-06-19 EP disclosed
WO-2001014375-A1 IMIDAZO[1,2-A]PYRIDINE AND PYRAZOLO[2,3-A]PYRIDINE DERIVATIVES ASTRAZENECA AB (SE) 2001-03-01 WO disclosed
US-6037472-A FOR TREATING DISEASE-STATES CHARACTERIZED BY EXCESSIVE ACTIVITY OF MATRIX METALLOPROTEASES SUCH AS RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, PERIODONTAL DISEASE, ABERRANT ANGIOGENESIS, TUMOR INVASION AND METASTASIS SYNTEX (U.S.A.) INC. (US) 2000-03-14 US disclosed
CN-1173170-A Matrix metalloprotease inhibitors SYNTEX INC (US) 1998-02-11 CN disclosed
EP-0793643-A1 MATRIX METALLOPROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1997-09-10 EP disclosed
WO-1996016027-A1 MATRIX METALLOPROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1996-05-30 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-20030212067-A1 Matrix metalloprotease inhibitors MMP7, MMP1, MMP3 TSHR 4556/4885NPSR1 2293/4885CA12 1302/4885

“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.