SCHEMBL3245347

SCHEMBL3245347

O=S(=O)(CCOCc1ccccc1)c1ccc2c(c1)CCN2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.44
MAOB P27338 3/20 0.44
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
HTR2C P28335 2/20 0.37
CA4 P22748 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 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
SCHEMBL19778192 0.76 CA12 (0.54) CA12CA1CA2CA9DRD2
SCHEMBL3875255 0.75 MAOA (0.68) MAOAMAOBDRD2DRD4
SCHEMBL31277779 0.74 TSHR (0.50) CA12CA1CA2CA9CA4
SCHEMBL3231127 0.74 MAOA (0.41) MAOAMAOBDRD2DRD4ACHE
Hydrochloric Acid SCHEMBL3902331 0.74 MAOA (0.66) MAOAMAOB
SCHEMBL3245037 0.73 CA12 (0.48) CA12CA1CA2CA9DRD2
SCHEMBL27818625 0.73 HTR2C (0.54) CA12CA1CA2CA9HTR2C
SCHEMBL12693806 0.72 HTR2C (0.65) CA12CA1CA2CA9DRD2
SCHEMBL2873054 0.72 CA12 (0.47) CA12CA1CA2CA9DRD2
SCHEMBL9503563 0.71 GAA (0.47) MAOAMAOBCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2210886-B1 PYRIMIDYL INDOLINE COMPOUND DAIICHI SANKYO CO LTD (JP) 2015-09-23 EP disclosed
US-8232287-B2 Pyrimidyl indoline compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-07-31 US disclosed
US-20100292259-A1 PYRIMIDYL INDOLINE COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-11-18 US disclosed
EP-2210886-A1 PYRIMIDYL INDOLINE COMPOUND Daiichi Sankyo Company, Limited (JP) 2010-07-28 EP 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-20100292259-A1 PYRIMIDYL INDOLINE COMPOUND GPR119, SLC5A2, SLC5A1 MAOA 2014/4885MAOB 1802/4885CA12 4354/4885

“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.