SCHEMBL2558474

SCHEMBL2558474

Cc1ccccc1SCC=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 4/20 0.40
TSHR P16473 3/20 0.40
MAPT P10636 5/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
RAB9A P51151 3/20 0.39
LMNA P02545 2/20 0.39
MAPK1 P28482 1/20 0.39
NOTUM Q6P988 1/20 0.38
NPC1 O15118 1/20 0.37
ACHE P22303 1/20 0.36
HSD17B10 Q99714 1/20 0.35
HTR7 P34969 1/20 0.35
KDM4E B2RXH2 2/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL9621322 0.80 RAB9A (0.43) MCHR1ALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL6057067 0.79 MCHR1 (0.42) MCHR1MEN1KMT2AALDH1A1TSHR
SCHEMBL11172021 0.78 MEN1 (0.43) MEN1KMT2ATSHRMAPTLMNA
SCHEMBL31000398 0.78 MEN1 (0.48) MCHR1MEN1KMT2AALDH1A1TSHR
SCHEMBL11292466 0.76 L3MBTL1 (0.44) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL249080 0.75 MEN1 (0.41) MEN1KMT2AALDH1A1SMN1; SMN2RAB9A
SCHEMBL28048096 0.75 RAB9A (0.42) MEN1KMT2AALDH1A1TSHRSMN1; SMN2
SCHEMBL9770355 0.75 HTR7 (0.48) MCHR1ALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL28367443 0.75 MCHR1 (0.48) MCHR1ALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL29738631 0.75 HTR7 (0.48) MCHR1ALDH1A1TSHRMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
US-20120010127-A1 Compositions Comprising Multiple Bioactive Agents, and Methods of Using the Same BERMAN JUDD M (CA) 2012-01-12 US disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed
US-20110124633-A1 Heterocyclic Compounds, Methods of Making Them and Their Use in Therapy BERMAN JUDD 2011-05-26 US disclosed
US-7879872-B2 comprising (E)-N-methyl-N-(3-methylbenzofuran-2-ylmethyl)-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)acrylamide or pharmaceutically acceptable salts thereof; and gentamicin; wherein combination has an fractional inhibitory coconcentration index value of 0.3 against S. aureus 29213 AFFINIUM PHARMACEUTICALS, INC. (CA) 2011-02-01 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 (2 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-20110124633-A1 Heterocyclic Compounds, Methods of Making Them and Their Use in Therapy NQO1, AADAC, SDHA MCHR1 3259/4885MEN1 969/4885KMT2A 3368/4885
US-20120010127-A1 Compositions Comprising Multiple Bioactive Agents, and Methods of Using the Same DBI, SERPINB1, CTSF MCHR1 4571/4885MEN1 2222/4885KMT2A 4353/4885

“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.