SCHEMBL1355596

SCHEMBL1355596

COc1cc[c]cc1NC(C)=O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
KMT2A Q03164 4/20 0.45
TSHR P16473 2/20 0.45
MEN1 O00255 2/20 0.45
HSD17B1 P14061 1/20 0.42
HSD17B2 P37059 1/20 0.42
KDM4E B2RXH2 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 2/20 0.41
ATM Q13315 2/20 0.41
MAPK1 P28482 1/20 0.41
MCL1 Q07820 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTT P42858 2/20 0.40
GAA P10253 1/20 0.40
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL7771748 0.86 HSD17B1 (0.46) ALDH1A1KMT2ATSHRMEN1HSD17B1
SCHEMBL2900503 0.83 KDM4E (0.48) ALDH1A1KMT2ATSHRMEN1KDM4E
SCHEMBL3269177 0.82 CYP1A2 (0.52) ALDH1A1KMT2AMEN1KDM4ESMN1; SMN2
SCHEMBL2899236 0.82 HTT (0.55) ALDH1A1KMT2AMEN1KDM4ESMN1; SMN2
SCHEMBL2902879 0.82 HTT (0.46) ALDH1A1KMT2ATSHRKDM4EMAPT
SCHEMBL28089256 0.82 POLB (0.35) ALDH1A1KMT2ATSHRMEN1SMN1; SMN2
SCHEMBL2902630 0.81 KMT2A (0.58) ALDH1A1KMT2ATSHRMEN1SMN1; SMN2
SCHEMBL2894992 0.80 SMN1; SMN2 (0.48) ALDH1A1KMT2AKDM4ESMN1; SMN2L3MBTL1
SCHEMBL2901269 0.80 SMN1; SMN2 (0.48) ALDH1A1KMT2AMEN1KDM4ESMN1; SMN2
SCHEMBL2900768 0.80 LMNA (0.49) ALDH1A1MAPK1L3MBTL1HTTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110281821-A9 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2011-11-17 US claimed
US-20100249067-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2010-09-30 US claimed
EP-2108020-A2 1-H-PYRAZOLO[3,4B]PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MITOTIC KINASES Biogen Idec MA, Inc. (US) 2009-10-14 EP claimed
WO-2008094602-A2 1-H-PYRAZOLO (3,4B) PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MITOTIC KINASES BIOGEN IDEC MA INC. (US) 2008-08-07 WO claimed
US-20110281821-A9 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2011-11-17 US disclosed
US-20100249067-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2010-09-30 US disclosed
EP-2108020-A2 1-H-PYRAZOLO[3,4B]PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MITOTIC KINASES Biogen Idec MA, Inc. (US) 2009-10-14 EP disclosed
WO-2008094602-A2 1-H-PYRAZOLO (3,4B) PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MITOTIC KINASES BIOGEN IDEC MA INC. (US) 2008-08-07 WO disclosed
US-20080108576-A1 Novel cytostatic conjugates with integrin ligands BAYER AKTIENGESELLSCHAFT (DE) 2008-05-08 US disclosed
US-7304037-B2 Cytostatic conjugates with integrin ligands BAYER AKIENGESELLSCHAFT (DE) 2007-12-04 US disclosed
US-20020193311-A1 Novel cytostatic conjugates with integrin ligands BAYER INTELLECTUAL PROPERTY GMBH (DE) 2002-12-19 US disclosed
US-5652247-A VASOPRESSIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD (JP) 1997-07-29 US disclosed
EP-0436938-A2 Silver halide color photographic material containing yellow colored cyan coupler Fuji Photo Film Co., Ltd. (JP) 1991-07-17 EP disclosed
EP-0382185-A2 Carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-08-16 EP disclosed
EP-0377463-A2 Silver halide color photographic material FUJI PHOTO FILM CO., LTD. (JP) 1990-07-11 EP disclosed
EP-0376212-A2 Silver halide color photographic photosensitive materials FUJI PHOTO FILM CO., LTD. (JP) 1990-07-04 EP disclosed
EP-0369486-A2 Negative type silver halide color photographic lightsensitive material Fuji Photo Film Co., Ltd. (JP) 1990-05-23 EP disclosed
EP-0310125-A2 Silver halide color photographic material FUJI PHOTO FILM CO., LTD. (JP) 1989-04-05 EP disclosed
EP-0296606-A2 Silver halide color photographic materials and processing method FUJI PHOTO FILM CO., LTD. (JP) 1988-12-28 EP disclosed
EP-0237695-A2 1,4-Dihydropyridines MERCK PATENT GmbH (DE) 1987-09-23 EP 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 (4 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-20020193311-A1 Novel cytostatic conjugates with integrin ligands ITGB3, ITGAV, ITGB5 ALDH1A1 2365/4885KMT2A 3876/4885TSHR 1906/4885
US-20080108576-A1 Novel cytostatic conjugates with integrin ligands ITGB3, ITGAV, ITGB5 ALDH1A1 1921/4885KMT2A 4000/4885TSHR 1682/4885
US-20100249067-A1 Modulators of Mitotic Kinases BUB1, BUB1B, CDK1 ALDH1A1 4063/4885KMT2A 1137/4885TSHR 4502/4885
US-20110281821-A9 Modulators of Mitotic Kinases BUB1, BUB1B, CDK1 ALDH1A1 4063/4885KMT2A 1137/4885TSHR 4502/4885

“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.