SCHEMBL2907959

SCHEMBL2907959

COc1ccccc1CCNc1ccc2c(NS(=O)(=O)c3cc(F)c(F)c(F)c3)cccc2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 3/20 0.41
MAP2K4 P45985 1/20 0.41
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 3/20 0.38
USP2 O75604 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA5A P35218 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL2904294 0.81 ALOX12 (0.53) ALOX12MEN1KMT2AALDH1A1LMNA
SCHEMBL2909092 0.80 MAP2K4 (0.42) MAP2K4MEN1KMT2AALDH1A1LMNA
SCHEMBL3949254 0.75 MAP2K4 (0.43) MAP2K4MEN1KMT2AALDH1A1LMNA
SCHEMBL1615349 0.75 MAP2K4 (0.38) MAP2K4MEN1KMT2AALDH1A1LMNA
SCHEMBL2904790 0.72 F2 (0.45) MEN1KMT2ALMNASLC40A1MAPT
SCHEMBL1616338 0.71 SLC40A1 (0.48) MEN1KMT2AALDH1A1TSHRSLC40A1
SCHEMBL1616371 0.71 SLC40A1 (0.38) MEN1KMT2AALDH1A1TSHRHTR6
SCHEMBL2908993 0.70 MAPT (0.46) ALOX12MEN1KMT2AALDH1A1LMNA
SCHEMBL2908880 0.70 ACP1 (0.57) MEN1KMT2AALDH1A1LMNAUSP2
SCHEMBL1613862 0.69 PDE4A (0.42) MAP2K4ALDH1A1SLC40A1MAPT

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-7825253-B2 2-aminoquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2010-11-02 US disclosed
EP-2076495-B1 QUINOLINE DERIVATIVES WITH 5-HT-BINDING PROPERTIES HOFFMANN LA ROCHE (CH) 2010-08-18 EP disclosed
EP-2076495-A1 QUINOLINE DERIVATIVES WITH 5-HT-BINDING PROPERTIES F.HOFFMANN-LA ROCHE AG (CH) 2009-07-08 EP disclosed
WO-2008037626-A1 QUINOLINE DERIVATIVES WITH 5-HT-BINDING PROPERTIES F. HOFFMANN-LA ROCHE AG (CH) 2008-04-03 WO disclosed
US-20080081907-A1 2-AMINOQUINOLINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-04-03 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-20080081907-A1 2-AMINOQUINOLINE DERIVATIVES AR, ADRA2C, RCC2 ALOX12 3907/4885MAP2K4 3870/4885MEN1 645/4885

“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.