SCHEMBL1477516

SCHEMBL1477516

[CH]1NCC[C@H]2CCCC[C@H]12

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL5159 1.00 ALDH1A1 (0.33) ALDH1A1
SCHEMBL7283678 1.00 ALDH1A1 (0.33) ALDH1A1
SCHEMBL16145772 1.00 ALDH1A1 (0.33) ALDH1A1
SCHEMBL1476914 1.00 ALDH1A1 (0.33) ALDH1A1
SCHEMBL14720581 0.95
SCHEMBL10873496 0.85
SCHEMBL7815 0.77
SCHEMBL14740988 0.77
SCHEMBL9938216 0.73 PNMT (0.34)
SCHEMBL37649 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210121397-A1 BIODEGRADABLE INTRAVITREAL TYROSINE KINASE IMPLANTS ALLERGAN INC (US) 2021-04-29 US claimed
US-10881608-B2 Biodegradable intravitreal tyrosine kinase implants ALLERGAN, INC. (US) 2021-01-05 US claimed
EP-1742610-B1 INTRAVITREAL IMPLANTS COMPRISING MICROSPHERES WHICH ENCAPSULATE A TYROSINE KINASE INHIBITOR AND A BIODEGRADABLE POLYMER ALLERGAN INC (US) 2013-06-12 EP claimed
EP-1902024-B1 KINASE INHIBITORS ALLERGAN INC (US) 2013-04-17 EP claimed
EP-1750665-B1 BIODEGRADABLE INTRAVITREAL TYROSINE KINASE INHIBITORS IMPLANTS ALLERGAN INC (US) 2012-07-11 EP claimed
US-8034957-B2 Kinase inhibitors ALLERGAN, INC. (US) 2011-10-11 US claimed
US-7915443-B2 Sulfoximines as kinase inhibitors ALLERGAN, INC. (US) 2011-03-29 US claimed
US-7749530-B2 Kinase inhibitors ALLERGAN, INC. (US) 2010-07-06 US claimed
US-20100168199-A1 Kinase Inhibitors ALLENGAN, INC. (US) 2010-07-01 US claimed
US-7692005-B2 Kinase inhibitors ALLERGAN, INC. (US) 2010-04-06 US claimed
US-20070015748-A1 Kinase Inhibitors ALLERGAN, INC. 2007-01-18 US claimed
WO-2007008895-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2007-01-18 WO claimed
US-7015220-B2 3-(arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. (US) 2006-03-21 US claimed
US-20060025413-A1 3-(arylamino)methylene-1,3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. 2006-02-02 US claimed
US-20040198802-A1 Kinase inhibitors for the treatment of disease ALLERGAN, INC. 2004-10-07 US claimed
US-20040198720-A1 3-(Arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ANDREWS STEVEN W (US) 2004-10-07 US claimed
US-6765012-B2 FOR MODULATING TYROSINE KINASE SIGNAL TRANSDUCTION IN ORDER TO REGULATE, MODULATE AND/OR INHIBIT ABNORMAL CELL PROLIFERATION ALLERGAN, INC. 2004-07-20 US claimed
WO-2004050621-A2 INDOL DERIVATIVES AND THEIR USE AS KINASE INHIBITORS ALLERGAN, INC (US) 2004-06-17 WO claimed
US-20040102509-A1 KINASE INHIBITORS FOR THE TREATMENT OF DISEASE ALLERGAN, INC. 2004-05-27 US claimed
US-20030199478-A1 3-(Arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. 2003-10-23 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 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-20100168199-A1 Kinase Inhibitors ABL1, LCK, ERBB2 ALDH1A1 2379/4885
US-20030199478-A1 3-(Arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 ALDH1A1 1651/4885
US-20040198802-A1 Kinase inhibitors for the treatment of disease ABL1, ERBB2, LCK ALDH1A1 2496/4885
US-20210121397-A1 BIODEGRADABLE INTRAVITREAL TYROSINE KINASE IMPLANTS KDR, PTK2B, DSTYK ALDH1A1 1500/4885
US-20040102509-A1 KINASE INHIBITORS FOR THE TREATMENT OF DISEASE ABL1, ERBB2, LCK ALDH1A1 2496/4885
US-10881608-B2 Biodegradable intravitreal tyrosine kinase implants KDR, PTK2B, DSTYK ALDH1A1 1500/4885
US-20060025413-A1 3-(arylamino)methylene-1,3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 ALDH1A1 1651/4885
US-20070015748-A1 Kinase Inhibitors ABL1, LCK, ERBB2 ALDH1A1 2379/4885
US-20040198720-A1 3-(Arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 ALDH1A1 1651/4885

“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.