SCHEMBL2483277

SCHEMBL2483277

COC(=O)c1ccc2c(c1)[nH]c1ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 1.00
PARP1 P09874 3/20 0.76
FTO Q9C0B1 1/20 0.61
ALDH1A1 P00352 4/20 0.58
KDM4E B2RXH2 3/20 0.58
MAPT P10636 3/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
RAB9A P51151 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
HCRTR1 O43613 1/20 0.58
LMNA P02545 2/20 0.57
HPGD P15428 2/20 0.57
HSD17B10 Q99714 2/20 0.57
GABRP O00591 1/20 0.57
GABRD O14764 1/20 0.57
PDE5A O76074 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
PKM P14618 1/20 0.57

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
SCHEMBL30522267 1.00 KIF11 (1.00) KIF11PARP1FTOALDH1A1KDM4E
SCHEMBL14376207 0.92 KIF11 (0.86) KIF11PARP1FTOALDH1A1KDM4E
SCHEMBL30571577 0.92 KIF11 (0.86) KIF11PARP1FTOALDH1A1KDM4E
SCHEMBL29708168 0.92 KIF11 (0.84) KIF11PARP1ALDH1A1KDM4EMEN1
SCHEMBL4725998 0.92 KIF11 (0.84) KIF11PARP1ALDH1A1KDM4EMEN1
SCHEMBL71508 0.90 KIF11 (0.82) KIF11PARP1FTOALDH1A1KDM4E
SCHEMBL25293367 0.86 PARP1 (1.00) KIF11PARP1FTOALDH1A1KDM4E
Carbazole SCHEMBL29280510 0.85 KIF11 (0.73) KIF11PARP1FTOALDH1A1KDM4E
SCHEMBL11235661 0.84 KIF11 (0.73) KIF11PARP1FTOALDH1A1KDM4E
SCHEMBL6009589 0.84 KIF11 (0.72) KIF11PARP1ALDH1A1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105008352-B Carbazole compounds useful as bromodomain inhibitors 百时美施贵宝公司 2018-12-07 CN disclosed
CN-105008352-A Carbazole compounds useful as bromodomain inhibitors BRISTOL MYERS SQUIBB CO 2015-10-28 CN disclosed
US-8076348-B2 Acylguanidine derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2011-12-13 US disclosed
US-8076348-B2 Acylguanidine derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2011-12-13 US disclosed
US-8076348-B2 Acylguanidine derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2011-12-13 US disclosed
EP-1923387-B1 ACYLGUANIDINE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2011-10-19 EP disclosed
US-20100324017-A1 ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-12-23 US disclosed
US-20100324017-A1 ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-12-23 US disclosed
US-20100324017-A1 ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-12-23 US disclosed
US-20100168096-A1 ACYLGUANIDINE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-07-01 US disclosed
US-20100168096-A1 ACYLGUANIDINE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-07-01 US disclosed
CN-101627013-A Acylguanidine derivative ASTELLAS PHARMA INC 2010-01-13 CN disclosed
EP-2119704-A1 ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2009-11-18 EP disclosed
EP-2119704-A1 ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2009-11-18 EP disclosed
CN-101243046-A Acylguanidine derivatives or salts thereof ASTELLAS PHARMA INC (JP) 2008-08-13 CN disclosed
EP-1923387-A1 ACYLGUANIDINE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2008-05-21 EP disclosed
US-20060183022-A1 Electrochemical cell NEC TOKIN CORORATION (JP) 2006-08-17 US disclosed
EP-1345898-A2 TERACYCLIC CARBAZOLE DERIVATES AND THEIR USE AS SPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 2003-09-24 EP disclosed
WO-2002050034-A2 TETRACYCLIC CARBAZOLE DERIVATES AND THEIR USE AS SPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 2002-06-27 WO disclosed
CN-1088209-A Heterogeneous ring compound WELLCOME FOUND (GB) 1994-06-22 CN 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 (2 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-20100324017-A1 ACYLGUANIDINE DERIVATIVE HTR5A, GRM5, HTR1E KIF11 3092/4885PARP1 1520/4885FTO 933/4885
US-20100168096-A1 ACYLGUANIDINE DERIVATIVE OR SALT THEREOF HTR2B, HTR7, HTR3B KIF11 4302/4885PARP1 2550/4885FTO 3745/4885

“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.