SCHEMBL1616101

SCHEMBL1616101

O=S(=O)(Nc1cccc2nc(NC3CCCCCC3)ccc12)c1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
GAA P10253 2/20 0.48
ALDH1A1 P00352 2/20 0.48
ATM Q13315 1/20 0.48
KEAP1 Q14145 1/20 0.45
NFE2L2 Q16236 1/20 0.45
MAPT P10636 2/20 0.44
GLO1 Q04760 1/20 0.44
PKM P14618 1/20 0.43
MCOLN3 Q8TDD5 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAP2K4 P45985 1/20 0.41
TSHR P16473 1/20 0.41
MERTK Q12866 1/20 0.40
KCNA5 P22460 1/20 0.40
PIK3CA P42336 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 1.00 KMT2A (0.48) KMT2AMEN1GAAALDH1A1ATM
SCHEMBL1616671 0.99 MEN1 (0.49) KMT2AMEN1GAAALDH1A1ATM
SCHEMBL1615481 0.81 GABBR2 (0.42) KMT2AMEN1GAAALDH1A1KEAP1
SCHEMBL1616346 0.80 MEN1 (0.46) KMT2AMEN1GAAALDH1A1KEAP1
SCHEMBL1616156 0.78 MAPT (0.45) KMT2AMEN1GAAALDH1A1KEAP1
SCHEMBL2906908 0.77 NPC1 (0.48) KMT2AMEN1GAAALDH1A1KEAP1
SCHEMBL1616695 0.77 ALDH1A1 (0.42) KMT2AMEN1GAAALDH1A1KEAP1
SCHEMBL1615706 0.77 METAP2 (0.38) KMT2AMEN1GAAALDH1A1MAPT
SCHEMBL1615356 0.76 MEN1 (0.56) KMT2AMEN1GAAALDH1A1KEAP1
SCHEMBL2898499 0.75 ATM (0.48) KMT2AMEN1GAAALDH1A1ATM

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 7 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
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
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 KMT2A 1379/4885MEN1 3139/4885GAA 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.