SCHEMBL1616671

SCHEMBL1616671

O=S(=O)(Nc1cccc2nc(NC3CCCC3)ccc12)c1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
GAA P10253 2/20 0.49
ALDH1A1 P00352 2/20 0.49
ATM Q13315 1/20 0.46
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46
MAPT P10636 2/20 0.45
GLO1 Q04760 1/20 0.45
TSHR P16473 1/20 0.41
PKM P14618 1/20 0.41
MCOLN3 Q8TDD5 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MERTK Q12866 1/20 0.41
KDM4E B2RXH2 3/20 0.40
RECQL P46063 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL1616135 0.99 KMT2A (0.48) MEN1KMT2AGAAALDH1A1ATM
SCHEMBL1616101 0.99 KMT2A (0.48) MEN1KMT2AGAAALDH1A1ATM
SCHEMBL1615481 0.82 GABBR2 (0.42) MEN1KMT2AGAAALDH1A1KEAP1
SCHEMBL1616346 0.81 MEN1 (0.46) MEN1KMT2AGAAALDH1A1KEAP1
SCHEMBL1616156 0.79 MAPT (0.45) MEN1KMT2AGAAALDH1A1KEAP1
SCHEMBL2906908 0.78 NPC1 (0.48) MEN1KMT2AGAAALDH1A1KEAP1
SCHEMBL1616695 0.77 ALDH1A1 (0.42) MEN1KMT2AGAAALDH1A1KEAP1
SCHEMBL1615706 0.77 METAP2 (0.38) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL1615356 0.77 MEN1 (0.56) MEN1KMT2AGAAALDH1A1KEAP1
SCHEMBL1616505 0.76 PDE4A (0.44) MEN1KMT2AGAAALDH1A1KEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7923561-B2 Quinolines HOFFMANN-LA ROCHE INC. (US) 2011-04-12 US claimed
US-20080146567-A1 QUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-19 US claimed
CN-101541753-B 2-aminoquinolines as 5-HT(5A) receptor antagonists HOFFMANN LA ROCHE 2012-06-13 CN disclosed
US-7923561-B2 Quinolines HOFFMANN-LA ROCHE INC. (US) 2011-04-12 US disclosed
EP-2099763-B1 2-AMINOQUINOLINES AS 5-HT(5A) RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-08-11 EP disclosed
CN-101541753-A 2-Aminoquinolines as 5-HT(5A) receptor antagonists HOFFMANN LA ROCHE (CH) 2009-09-23 CN disclosed
EP-2099763-A1 2-AMINOQUINOLINES AS 5-HT(5A) RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2009-09-16 EP disclosed
US-20080146567-A1 QUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-19 US disclosed
WO-2008068157-A1 2-AMINOQUINOLINES AS 5-HT(5A) RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-06-12 WO 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-20080146567-A1 QUINOLINES HTR5A, HTR2B, HTR2C MEN1 3139/4885KMT2A 1379/4885GAA 483/4885

“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.