SCHEMBL5429652

SCHEMBL5429652

Cc1cc(Br)nc2cc(OC(C)C)ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
KDM4E B2RXH2 7/20 0.46
HPGD P15428 5/20 0.46
HSD17B10 Q99714 3/20 0.46
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
FGFR1 P11362 1/20 0.40
F2 P00734 1/20 0.38
TSHR P16473 2/20 0.37
HBB P68871 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
MAPK1 P28482 1/20 0.36
POLB P06746 1/20 0.36
PDE4A P27815 1/20 0.35

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
SCHEMBL5446715 0.86 POLB (0.39) ALDH1A1KDM4EHPGDHSD17B10F2
SCHEMBL8600231 0.83 FGFR1 (0.40) ALDH1A1KDM4EHPGDHSD17B10FGFR1
SCHEMBL5433545 0.81 KDM4E (0.46) ALDH1A1KDM4EHPGDHSD17B10NOS3
SCHEMBL5432985 0.76 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDHSD17B10F2
SCHEMBL31716032 0.72 PDE3B (0.48) ALDH1A1FGFR1PDE3BPDE3AKMT2A
SCHEMBL5430464 0.71 KDM4E (0.50) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL16481265 0.70 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL20588792 0.70 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDHSD17B10FGFR1
SCHEMBL20589705 0.70 KMT2A (0.42) ALDH1A1KDM4EHPGDHSD17B10FGFR1
SCHEMBL31095270 0.70 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDHSD17B10FGFR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070185079-A1 Therapeutic agents I ASTRAZENECA AB (SE) 2007-08-09 US disclosed
CN-1906169-A Therapeutic agents I ASTRAZENECA AB (SE) 2007-01-31 CN disclosed
EP-1706384-A1 THERAPEUTIC AGENTS I AstraZeneca AB (SE) 2006-10-04 EP disclosed
WO-2005066132-A1 THERAPEUTIC AGENTS I ASTRAZENECA AB (SE) 2005-07-21 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-20070185079-A1 Therapeutic agents I HTT, GRIN2A, GRIN1 ALDH1A1 1661/4885KDM4E 2659/4885HPGD 810/4885

“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.