SCHEMBL1523079

SCHEMBL1523079

CSc1ncc2c(=O)oc(=O)n(Cc3ccccc3)c2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
POLB P06746 2/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.41
MIF P14174 3/20 0.40
ELANE P08246 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PDE4A P27815 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38
BRAF P15056 1/20 0.38
CD74 P04233 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL11156065 0.81 PDE5A (0.47) TSHRALDH1A1MAPTHPGDHSD17B10
SCHEMBL1522428 0.80 ADORA1 (0.46) TSHRALDH1A1HPGDHSD17B10MIF
SCHEMBL1227299 0.78 MAP4K1 (0.48) TSHRNPSR1ALDH1A1MAPTPOLB
SCHEMBL2354496 0.77 F7 (0.33) ELANEMEN1KMT2A
SCHEMBL11165276 0.77 ALDH1A1 (0.39) TSHRALDH1A1POLBHPGDHSD17B10
SCHEMBL23141918 0.75 CDK4 (0.60) TSHRNPSR1ALDH1A1MAPTPOLB
SCHEMBL30718958 0.75 CDK4 (0.60) TSHRNPSR1ALDH1A1MAPTPOLB
SCHEMBL26125659 0.73 PDE4A (0.42) TSHRNPSR1ALDH1A1MAPTPOLB
SCHEMBL11168022 0.73 SMN1; SMN2 (0.46) TSHRNPSR1ALDH1A1MAPTPOLB
SCHEMBL4261897 0.73 MEN1 (0.45) TSHRNPSR1ALDH1A1MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2361913-A1 Anti-infective agents Abbott Laboratories (US) 2011-08-31 EP disclosed
US-7902203-B2 Anti-infective agents ABBOTT LABORATORIES, INC. (US) 2011-03-08 US disclosed
EP-1560827-B1 ANTI-INFECTIVE AGENTS ABBOTT LAB (US) 2010-12-29 EP disclosed
US-20050075331-A1 Anti-infective agents ABBOTT LABORATORIES 2005-04-07 US disclosed
US-20040167123-A1 Anti-infective agents ABBVIE INC. 2004-08-26 US disclosed
US-20040162285-A1 Anti-infective agents ABBOTT LABORATORIES 2004-08-19 US disclosed
US-20040097492-A1 Anti-infective agents ABBOTT LABORATORIES 2004-05-20 US disclosed
US-20040087577-A1 Anti-infective agents ABBOTT LABORATORIES 2004-05-06 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 (5 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-20040097492-A1 Anti-infective agents POLR1C, RPL5, POLB TSHR 4415/4885NPSR1 4323/4885ALDH1A1 1434/4885
US-20040162285-A1 Anti-infective agents POLR1C, RPL5, POLB TSHR 4415/4885NPSR1 4323/4885ALDH1A1 1434/4885
US-20040167123-A1 Anti-infective agents SERPINB1, CYP51A1, ZC3HAV1 TSHR 4722/4885NPSR1 4037/4885ALDH1A1 891/4885
US-20050075331-A1 Anti-infective agents RPL35, POLI, POLRMT TSHR 4644/4885NPSR1 4146/4885ALDH1A1 1592/4885
US-20040087577-A1 Anti-infective agents POLR1C, RPL5, POLB TSHR 4415/4885NPSR1 4323/4885ALDH1A1 1434/4885

“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.