SCHEMBL2113298

SCHEMBL2113298

Cc1cnc2c(=O)c(C(=O)O)cn(C)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
GAA P10253 2/20 0.37
PKM P14618 1/20 0.37
DHODH Q02127 2/20 0.36
PARP1 P09874 1/20 0.35
PDE10A Q9Y233 1/20 0.35
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
KMT2A Q03164 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34

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
SCHEMBL13798311 0.74 LMNA (0.50) LMNAALDH1A1KDM4EPKMS1PR1
SCHEMBL15031276 0.72 CCR1 (0.42) KDM4EPARP1PDE10A
SCHEMBL15863625 0.72 MCL1 (0.43) LMNADHODH
SCHEMBL399326 0.71 LMNA (0.56) LMNAALDH1A1KDM4EKMT2AHSD17B10
SCHEMBL10254311 0.68 KMT2A (0.49) LMNAALDH1A1KDM4EGAAKMT2A
SCHEMBL20031279 0.68 KMT2A (0.43) LMNAALDH1A1KDM4EKMT2AKDM4C
SCHEMBL9835125 0.67 HSD17B10 (0.43) LMNAALDH1A1KDM4EPKMKMT2A
SCHEMBL6961479 0.66 ALDH1A1 (0.38) LMNAALDH1A1PKMDHODHKMT2A
SCHEMBL2053076 0.66 CCR1 (0.36) KDM4EPDE10A
SCHEMBL9321255 0.66 LMNA (0.51) LMNAALDH1A1KDM4EKMT2AHSD17B10

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2388003-B1 Colchicine derivatives CALIFORNIA PACIFIC MEDICAL CENTER (US) 2021-12-29 EP disclosed
EP-3207929-B1 COLCHICINE DERIVATIVES FOR THE TREATMENT OF CANCER CALIFORNIA PACIFIC MEDICAL CENTER (US) 2021-05-26 EP disclosed
EP-3207929-A2 COLCHICINE DERIVATIVES California Pacific Medical Center (US) 2017-08-23 EP disclosed
EP-1617843-B1 COLCHICINE DERIVATIVES CALIFORNIA PACIFIC MEDICAL CENTER (US) 2016-12-21 EP disclosed
EP-1643987-B1 PODOPHYLLOTOXIN DERIVATIVES CALIFORNIA PACIFIC MED CENTER (US) 2016-11-30 EP disclosed
US-8158809-B2 Podophyllotoxin derivatives SUTTER WEST BAY HOSPITALS (US) 2012-04-17 US disclosed
EP-2388003-A2 Colchicine derivatives California Pacific Medical Center (US) 2011-11-23 EP disclosed
US-20090298870-A1 PODOPHYLLOTOXIN DERIVATIVES Sutter West Bay Hospitals, dba California Pacific Medical Center and Catholic Healthcare West 2009-12-03 US disclosed
US-7605262-B2 Podophyllotoxin derivatives SUTTER WEST BAY HOSPITALS (US) 2009-10-20 US disclosed
US-20080113941-A1 Podophyllotoxin Derivatives CALIFORNIA PACIFIC MEDICAL CENTER 2008-05-15 US disclosed
US-7342114-B2 Podophyllotoxin derivatives CALIFORNIA PACIFIC MEDICAL CENTER (US) 2008-03-11 US disclosed
EP-1617843-A2 COLCHICINE DERIVATIVES California Pacific Medical Center (US) 2006-01-25 EP disclosed
WO-2005007076-A2 COLCHICINE DERIVATIVES CALIFORNIA PACIFIC MEDICAL CENTER (US) 2005-01-27 WO disclosed
US-20050004169-A1 Podophyllotoxin derivatives SUTTER WEST BAY HOSPITALS, DBA CALIFORNIA PACIFIC MEDICAL CENTER 2005-01-06 US disclosed
US-6825236-B2 ACTIVE AGAINST TUMORS IN MICE AND ARE GENERALLY WELL TOLERATED CALIFORNIA PACIFIC MEDICAL CENTER 2004-11-30 US disclosed
US-20040204370-A1 COLCHICINE DERIVATIVES SUTTER WEST BAY HOSPITALS, DBA CALIFORNIA PACIFIC MEDICAL CENTER 2004-10-14 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 (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-20080113941-A1 Podophyllotoxin Derivatives APEH, DAGLA, DPY30 LMNA 1033/4885ALDH1A1 285/4885KDM4E 37/4885
US-20050004169-A1 Podophyllotoxin derivatives APEH, DAGLA, DPY30 LMNA 1033/4885ALDH1A1 285/4885KDM4E 37/4885
US-20040204370-A1 COLCHICINE DERIVATIVES H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCCS, NAP1L4 LMNA 214/4885ALDH1A1 2730/4885KDM4E 451/4885
US-20090298870-A1 PODOPHYLLOTOXIN DERIVATIVES APEH, DAGLA, DPY30 LMNA 1033/4885ALDH1A1 285/4885KDM4E 37/4885

“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.