SCHEMBL3754494

SCHEMBL3754494

Cc1cc2nccn2c(C)c1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPK1 P28482 1/20 0.39
CHRM4 P08173 5/20 0.38
KDM4E B2RXH2 2/20 0.37
GAA P10253 2/20 0.37
PKM P14618 1/20 0.37
CYP3A4 P08684 2/20 0.37
ACHE P22303 1/20 0.37
MAPT P10636 1/20 0.36
APOBEC3A P31941 2/20 0.35
APOBEC3G Q9HC16 1/20 0.35
LDHA P00338 2/20 0.34
LDHB P07195 2/20 0.34
MAP4K2 Q12851 1/20 0.33
FLT1 P17948 1/20 0.33
CDK8 P49336 1/20 0.33
CDK9 P50750 1/20 0.33
LIMK1 P53667 1/20 0.33
ROCK1 Q13464 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
SCHEMBL22445911 0.77 SMN1; SMN2 (0.44) ALDH1A1SMN1; SMN2MAPK1CHRM4KDM4E
SCHEMBL17815907 0.74 CDK8 (0.39) CHRM4CYP3A4MAP4K2FLT1CDK8
SCHEMBL12238199 0.73 HTR2A (0.45) ALDH1A1SMN1; SMN2MAPK1CYP3A4ACHE
SCHEMBL3758060 0.72 L3MBTL1 (0.37) SMN1; SMN2CHRM4CYP3A4MAP4K2FLT1
SCHEMBL19697815 0.71 KDM4E (0.44) ALDH1A1SMN1; SMN2CHRM4KDM4EGAA
SCHEMBL21816426 0.71 NOTUM (0.41) ALDH1A1KDM4EGAAPKMMAP4K2
SCHEMBL275781 0.70 GRM5 (0.43) ALDH1A1SMN1; SMN2CHRM4KDM4EPKM
SCHEMBL22445872 0.70 SMN1; SMN2 (0.39) ALDH1A1SMN1; SMN2MAPK1KDM4EGAA
SCHEMBL17812872 0.69 FLT1 (0.35) CHRM4CYP3A4FLT1CDK8CDK9
SCHEMBL16041557 0.68 CDK8 (0.41) ALDH1A1SMN1; SMN2KDM4EGAAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298366-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2010-11-25 US disclosed
US-7790747-B2 Chemokine receptor binding compounds GENZYME CORPORATION (US) 2010-09-07 US disclosed
US-20090099205-A1 Chemokine receptor binding compounds GENZYME CORPORATION 2009-04-16 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-20100298366-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS CCR5, CXCR3, CCL5 ALDH1A1 3358/4885SMN1; SMN2 4838/4885MAPK1 1005/4885
US-20090099205-A1 Chemokine receptor binding compounds CCR5, CXCR3, CCL5 ALDH1A1 3358/4885SMN1; SMN2 4838/4885MAPK1 1005/4885

“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.