SCHEMBL13030804

SCHEMBL13030804

COCOCCC(=O)Sc1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.42
LMNA P02545 2/20 0.42
RAB9A P51151 6/20 0.41
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 6/20 0.39
HPGD P15428 5/20 0.39
MAPK10 P53779 1/20 0.38
RGS12 O14924 1/20 0.38
NPC1 O15118 4/20 0.38
KDM4E B2RXH2 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TP53 P04637 1/20 0.38
PKM P14618 2/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL12109353 0.88 ALDH1A1 (0.46) ALDH1A1LMNARAB9AMAPTKMT2A
SCHEMBL277446 0.86 LMNA (0.50) ALDH1A1LMNARAB9AMAPTKMT2A
SCHEMBL421227 0.83 ALDH1A1 (0.44) ALDH1A1LMNARAB9AMAPTKMT2A
SCHEMBL5881010 0.80 ALDH1A1 (0.41) ALDH1A1LMNARAB9AMAPTKMT2A
SCHEMBL13979666 0.79 LMNA (0.48) ALDH1A1LMNARAB9AMAPTKMT2A
SCHEMBL13030806 0.79 LMNA (0.39) ALDH1A1LMNARAB9AMAPTKMT2A
SCHEMBL4120039 0.77 ALDH1A1 (0.50) ALDH1A1LMNARAB9AMAPTKMT2A
SCHEMBL535804 0.76 ALDH1A1 (0.49) ALDH1A1LMNARAB9AMAPTKMT2A
SCHEMBL10126453 0.75 ALDH1A1 (0.42) ALDH1A1LMNARAB9AMAPTKMT2A
SCHEMBL2902840 0.75 LMNA (0.48) ALDH1A1LMNARAB9AMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7834088-B2 Thioester-terminated water soluble polymers and method of modifying the N-terminus of a polypeptide therewith NEKTAR THERAPEUTICS (US) 2010-11-16 US disclosed
US-20100069571-A1 Thioester-Terminated Water Soluble Polymers and Method of Modifying the N-Terminus of a Polypeptide Therewith NEKTAR THERAPEUTICS (US) 2010-03-18 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 (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-20100069571-A1 Thioester-Terminated Water Soluble Polymers and Method of Modifying the N-Terminus of a Polypeptide Therewith PCTP, CETP, NGLY1 ALDH1A1 1734/4885LMNA 2605/4885RAB9A 4150/4885

“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.