SCHEMBL5982328

SCHEMBL5982328

O=C(CCn1c[c]nc1)N1CCSCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.36
HPGD P15428 4/20 0.31
ALDH1A1 P00352 3/20 0.31
HSD17B10 Q99714 3/20 0.31
KMT2A Q03164 2/20 0.31
ATM Q13315 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HTR1A P08908 1/20 0.31
HTR7 P34969 1/20 0.31
FAAH O00519 1/20 0.30
PHGDH O43175 1/20 0.30
MGLL Q99685 1/20 0.30
GAA P10253 1/20 0.30
TPSAB1 Q15661 1/20 0.30
TPSD1 Q9BZJ3 1/20 0.30

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
SCHEMBL5982521 0.91 ATM (0.36) KDM1AALDH1A1HSD17B10KMT2AATM
SCHEMBL5982425 0.90 TPSAB1 (0.40) KDM1AKMT2AATMMEN1LMNA
SCHEMBL5982363 0.89 TPSAB1 (0.41) KMT2AATMMEN1LMNATDP1
SCHEMBL5983222 0.89 TPSAB1 (0.41) KMT2AATMMEN1LMNATDP1
SCHEMBL5983701 0.89 TPSAB1 (0.41) KMT2AATMMEN1LMNATDP1
SCHEMBL5982729 0.86 HPGD (0.31) HPGDALDH1A1HSD17B10FAAHPHGDH
SCHEMBL5983095 0.84 SMN1; SMN2 (0.45) ALDH1A1HSD17B10KDM4EUSP2LMNA
SCHEMBL5982194 0.81 CHRM2 (0.31)
SCHEMBL5983036 0.75 LMNA (0.47) HPGDALDH1A1KDM4EUSP2LMNA
SCHEMBL5982461 0.74 GLA (0.43) HPGDALDH1A1KDM4EUSP2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1634888-A2 Synthesis of 2'-deoxy-L-nucleosides Pharmasset Limited (US) 2006-03-15 EP disclosed
EP-1600451-A2 Synthesis of 2'-deoxy-l-nucleosides Pharmasset Limited (US) 2005-11-30 EP disclosed
EP-1600452-A2 Synthesis of 2'-deoxy-L-nucleosides Pharmasset Limited (US) 2005-11-30 EP disclosed
US-20050090660-A1 2'-deoxy-L-nucleosides PHARMASSET, INC. 2005-04-28 US disclosed
EP-1232166-A2 SYNTHESIS OF 2'-DEOXY-L-NUCLEOSIDES Pharmasset Limited (US) 2002-08-21 EP disclosed
WO-2001034618-A2 SYNTHESIS OF 2'-DEOXY-L-NUCLEOSIDES PHARMASSET LIMITED (US) 2001-05-17 WO disclosed
US-5614519-A (1-(2,3 or 4-N-morpholinoalkyl)-imidazol-4-yl)-benizimidazol-1-yl-methyl]-biphenyls useful as angiotensin-II antagonists KARL THOMAE GMBH (DE) 1997-03-25 US disclosed
US-5594003-A HYPOTENSIVE AGENTS DR. KARL THOMAE GMBH (DE) 1997-01-14 US disclosed
US-5591762-A HYPOTENSIVE AGENTS DR. KARL THOMAE GMBH (DE) 1997-01-07 US disclosed
EP-0552765-B1 Benzimidazoles, pharmaceutical compositions containing them and process for their preparation THOMAE GMBH DR K (DE) 1996-08-14 EP disclosed
US-5459147-A Angeotensin-antagonistic effects; hypotensive, antiischemic, and antidiabetic agents, treating glaucoma DR. KARL THOMAE GMBH (DE) 1995-10-17 US disclosed
EP-0560330-A2 Substituted benzimidazolyl derivatives, therapeutic agents containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1993-09-15 EP disclosed
EP-0552765-A1 Benzimidazoles, pharmaceutical compositions containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1993-07-28 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 (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-20050090660-A1 2'-deoxy-L-nucleosides CCNH, ADAR, NSUN2 KDM1A 3799/4885HPGD 2416/4885ALDH1A1 4093/4885

“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.