SCHEMBL3055775

SCHEMBL3055775

C=CCC1Cc2ccccc2N1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 3/20 0.42
GAA P10253 2/20 0.42
MAPK1 P28482 2/20 0.39
CTNNB1 P35222 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HTT P42858 1/20 0.38
ATM Q13315 1/20 0.38
PRCP P42785 1/20 0.37
AR P10275 1/20 0.36
PNMT P11086 2/20 0.36

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
SCHEMBL29756469 1.00 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTGAAMAPK1
Hydrochloric Acid SCHEMBL2259015 0.98 ALDH1A1 (0.42) ALDH1A1KDM4EMAPTGAAMAPK1
SCHEMBL9251303 0.83 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTGAAMAPK1
SCHEMBL6705874 0.83 MTNR1A (0.49) ALDH1A1KDM4EMAPTGAAMAPK1
SCHEMBL13362022 0.82 GAA (0.46) MAPTGAAARPNMT
SCHEMBL5807102 0.79 GAA (0.46) MAPTGAAARPNMT
SCHEMBL11491245 0.79 MTNR1A (0.37) MAPTGAAPRCPARPNMT
SCHEMBL11771368 0.78 ALDH1A1 (0.40) ALDH1A1KDM4EMAPTGAAMAPK1
SCHEMBL11426860 0.77 GAA (0.47) MAPTGAAARPNMT
SCHEMBL7131825 0.77 ALDH1A1 (0.37) ALDH1A1KDM4EMAPTGAAMAPK1

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
JP-9143158-A None JP disclosed
EP-2225223-B1 ORGANIC COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2017-01-11 EP disclosed
EP-2251338-A2 Organic compounds Boehringer Ingelheim International GmbH (DE) 2010-11-17 EP disclosed
US-6825225-B2 useful against a number of human and veterinary pathogens, including gram-positive aerobic bacteria such as multiply-resistant staphylococci and streptococci, anaerobic organisms such as bacteroides and clostridia species, and acid-fast organisms PHARMACIA & UPJOHN COMPANY 2004-11-30 US disclosed
US-20040116413-A1 Novel bicyclic isoxazolinones as antibacterial agents PHARMACIA & UPJOHN COMPANY 2004-06-17 US disclosed
EP-0831829-B1 HETEROCYCLIC RING-FUSED PYRIMIDINE DERIVATIVES PFIZER (US) 2003-08-20 EP disclosed
EP-1334090-A1 NOVEL BICYCLIC ISOXAZOLINONES AS ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2003-08-13 EP disclosed
EP-1181288-B1 BICYCLIC OXAZOLIDINONES AS ANTIBACTERIAL AGENT UPJOHN CO (US) 2003-07-30 EP disclosed
WO-2002102785-A1 NOVEL BICYCLIC ISOXAZOLINONES AS ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2002-12-27 WO disclosed
US-20020143009-A1 Novel bicyclic oxazolidinones as antibacterial agents PHARMACIA & UPJOHN 2002-10-03 US disclosed
EP-1181288-A1 BICYCLIC OXAZOLIDINONES AS ANTIBACTERIAL AGENT PHARMACIA & UPJOHN COMPANY (US) 2002-02-27 EP disclosed
WO-2000073301-A1 BICYCLIC OXAZOLIDINONES AS ANTIBACTERIAL AGENT PHARMACIA & UPJOHN COMPANY (US) 2000-12-07 WO disclosed
EP-0831829-A4 HETEROCYCLIC RING-FUSED PYRIMIDINE DERIVATIVES PFIZER (US) 1998-11-25 EP disclosed
US-5736534-A HYPERPROLIFERATIVE DISEASES; INHIBITORS OF PROTEIN-TYROSINE KINASES SUCH AS EPIDERMAL GROWTH FACTOR RECEPTOR; BRAIN, LUNG, BREAST CANCER; PSORIASIS AND BENIGN PROSTATE HYPERPLASIA PFIZER INC. (US) 1998-04-07 US disclosed
EP-0831829-A1 HETEROCYCLIC RING-FUSED PYRIMIDINE DERIVATIVES PFIZER INC. (US) 1998-04-01 EP disclosed
JP-H09143158-A PRODUCTION OF 2-ALKYLINDOLINE KAWAKEN FINE CHEM CO LTD 1997-06-03 JP disclosed
CN-1141298-A Pyrimidine-fused heterocyclic compound anti-cancer agents PFIZER (US) 1997-01-29 CN disclosed
WO-1996040142-A1 HETEROCYCLIC RING-FUSED PYRIMIDINE DERIVATIVES PFIZER INC. (US) 1996-12-19 WO disclosed
EP-0746554-A1 4-HETEROCYCLYL-SUBSTITUTED QUINAZOLINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS ANTI-CANCER AGENTS PFIZER INC. (US) 1996-12-11 EP disclosed
WO-1995023141-A1 4-HETEROCYCLYL-SUBSTITUTED QUINAZOLINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS ANTI-CANCER AGENTS PFIZER INC. (US) 1995-08-31 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-20020143009-A1 Novel bicyclic oxazolidinones as antibacterial agents OXA1L, MRPL21, RPS4Y1 ALDH1A1 1430/4885KDM4E 3964/4885MAPT 4777/4885

“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.