SCHEMBL7602604

SCHEMBL7602604

O=S(=O)(Nc1ccc2nc(N[C@@H]3CCc4ccccc43)ccc2c1)N1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.50
USP2 O75604 2/20 0.50
GAA P10253 2/20 0.50
HSD17B10 Q99714 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MAPT P10636 1/20 0.50
POLB P06746 2/20 0.42
ALDH1A1 P00352 5/20 0.39
MET P08581 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 1/20 0.38
FADS1 O60427 1/20 0.38
MAPK1 P28482 2/20 0.37
HTT P42858 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
PDE10A Q9Y233 2/20 0.36
GLP1R P43220 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL4108477 0.85 KDM4E (0.40) LMNAUSP2GAAHSD17B10KDM4E
SCHEMBL4097503 0.83 MET (0.39) LMNAUSP2GAAHSD17B10KDM4E
SCHEMBL7602597 0.83 CA1 (0.49) LMNAUSP2GAAHSD17B10KDM4E
Hydrochloric Acid SCHEMBL4097363 0.82 CA1 (0.48) LMNAUSP2GAAHSD17B10KDM4E
SCHEMBL4116784 0.80 CA1 (0.41) LMNAKDM4ESMN1; SMN2FADS1GLP1R
SCHEMBL3412817 0.80 SMN1; SMN2 (0.42) LMNAHSD17B10KDM4EMAPTSMN1; SMN2
SCHEMBL4115021 0.80 KDM4E (0.40) LMNAUSP2GAAHSD17B10KDM4E
SCHEMBL4098123 0.79 DDB1 (0.39) LMNAUSP2GAAHSD17B10KDM4E
SCHEMBL3409274 0.78 JAK2 (0.42) LMNAKDM4EMAPTPOLBALDH1A1
SCHEMBL4097398 0.78 KDM4E (0.38) LMNAKDM4ESMN1; SMN2FADS1GLP1R

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
US-8183380-B2 2-aminoquinolines HOFFMANN-LA ROCHE INC. (US) 2012-05-22 US disclosed
US-8183380-B2 2-aminoquinolines HOFFMANN-LA ROCHE INC. (US) 2012-05-22 US disclosed
WO-2009109477-A1 2-AMINOQUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-09-11 WO disclosed
US-20090227570-A1 2-AMINOQUINOLINES HOFFMANN-LA ROCHE, INC. 2009-09-10 US disclosed
US-20090227570-A1 2-AMINOQUINOLINES HOFFMANN-LA ROCHE, INC. 2009-09-10 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-20090227570-A1 2-AMINOQUINOLINES HTR5A, HTR2C, HTR2A LMNA 2383/4885USP2 3515/4885GAA 4487/4885

“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.