SCHEMBL3779400

SCHEMBL3779400

CCc1[nH]c2c(F)ccc(OCC(=O)OC)c2c(=O)c1Cc1ccc(S(=O)(=O)N2CCOCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.42
KMT2A Q03164 4/20 0.41
MEN1 O00255 2/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 3/20 0.41
MAPT P10636 1/20 0.41
APEX1 P27695 1/20 0.40
MMP10 P09238 1/20 0.40
MMP13 P45452 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL3779431 0.85 PTGDR2 (0.37) NPC1TSHRMAPTALDH1A1
SCHEMBL3776184 0.85 TSHR (0.36) NPC1TSHRMAPTALDH1A1
SCHEMBL3779461 0.83 ALDH1A1 (0.41) NPC1KMT2AMAPTALDH1A1
SCHEMBL3779428 0.82 PTGDR2 (0.36) POLBTSHRMAPTALDH1A1
SCHEMBL2573624 0.81 ALDH1A1 (0.34) NPC1KMT2AMEN1POLBMAPT
SCHEMBL2575631 0.81 ERAP1 (0.35) KMT2AMEN1MAPTMMP13ALDH1A1
SCHEMBL3778740 0.81 HPGD (0.37) NPC1KMT2AMEN1MAPTALDH1A1
SCHEMBL534053 0.80 MAOB (0.34) KMT2AMAPTALDH1A1
SCHEMBL2570634 0.78 PDE2A (0.38) KMT2AMEN1
SCHEMBL534697 0.78 PTGDR2 (0.33) KMT2AMEN1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1928457-B1 QUINOLINES AND THEIR THERAPEUTIC USE PULMAGEN THERAPEUTICS ASTHMA LTD (GB) 2012-12-12 EP disclosed
US-7858640-B2 Quinolines and their therapeutic use PULMAGEN THERAPEUTICS (ASTHMA) LIMITED (GB) 2010-12-28 US disclosed
US-20090156600-A1 Quinolines and Their Therapeutic Use GB005, INC. 2009-06-18 US disclosed
EP-1928457-A2 QUINOLINES AND THEIR THERAPEUTIC USE Argenta Discovery Limited (GB) 2008-06-11 EP disclosed
WO-2007036743-A2 QUINOLINES AND THEIR THERAPEUTIC USE ARGENTA DISCOVERY LIMITED (GB) 2007-04-05 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-20090156600-A1 Quinolines and Their Therapeutic Use NR3C1, NR3C2, NR1H3 NPC1 1903/4885KMT2A 3406/4885MEN1 4140/4885

“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.