SCHEMBL1996903

SCHEMBL1996903

Cc1[nH]cc(-c2ccco2)c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.43
ALDH1A1 P00352 7/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 9/20 0.38
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
HPGD P15428 4/20 0.38
POLB P06746 3/20 0.38
HSD17B10 Q99714 3/20 0.38
MAPT P10636 3/20 0.38
RECQL P46063 2/20 0.38
BLM P54132 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
PKM P14618 2/20 0.38
ALOX15 P16050 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
STK4 Q13043 1/20 0.38
STK3 Q13188 1/20 0.38
USP2 O75604 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
Ethane SCHEMBL16588817 0.98 PDE10A (0.42) PDE10AALDH1A1MEN1KMT2AKDM4E
SCHEMBL7260786 0.70 POLB (0.52) PDE10AALDH1A1MEN1KMT2AKDM4E
SCHEMBL26259782 0.69 ALDH1A1 (0.41) PDE10AALDH1A1MEN1KMT2AKDM4E
SCHEMBL31201127 0.69 PDE10A (0.46) PDE10AALDH1A1MEN1KMT2AKDM4E
SCHEMBL29810993 0.68 MEN1 (0.40) PDE10AALDH1A1MEN1KMT2AKDM4E
SCHEMBL8334932 0.68 MEN1 (0.40) PDE10AALDH1A1MEN1KMT2AKDM4E
SCHEMBL25785972 0.67 PDPK1 (0.50) PDE10ASTK4STK3
SCHEMBL13091138 0.67 NPC1 (0.43) PDE10AALDH1A1MEN1KMT2AKDM4E
SCHEMBL4629034 0.67 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AKDM4EPOLB
SCHEMBL11070786 0.65 ALDH1A1 (0.38) PDE10AALDH1A1MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110152285-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2011-06-23 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-20110152285-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 PDE10A 2135/4885ALDH1A1 219/4885MEN1 77/4885

“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.