SCHEMBL13630883

SCHEMBL13630883

NCc1cccc(CSC2CCCCC2)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
QRFPR Q96P65 2/20 0.48
KMT2A Q03164 1/20 0.46
PRMT6 Q96LA8 1/20 0.44
PNMT P11086 1/20 0.39
ENPP2 Q13822 1/20 0.39
LOXL2 Q9Y4K0 3/20 0.38
LOX P28300 1/20 0.38
NCF1 P14598 1/20 0.37
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 1/20 0.36
SLC11A2 P49281 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NFKB1 P19838 1/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CSNK2A1 P68400 1/20 0.36
EPHX1 P07099 1/20 0.35

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
SCHEMBL2581637 0.86 KMT2A (0.60) QRFPRKMT2ALOXL2LOXCYP3A4
SCHEMBL611355 0.84 QRFPR (0.44) QRFPRKMT2ACYP2D6NOS1
SCHEMBL2581634 0.84 KMT2A (0.57) QRFPRKMT2ALOXL2LOXALDH1A1
SCHEMBL3840859 0.81 KMT2A (0.44) QRFPRKMT2ASMN1; SMN2EPHX1
SCHEMBL611845 0.80 KMT2A (0.46) QRFPRKMT2ASMN1; SMN2
SCHEMBL10235938 0.78 KMT2A (0.42) QRFPRKMT2A
SCHEMBL6057114 0.78 KMT2A (0.64) QRFPRKMT2AALDH1A1SMN1; SMN2
SCHEMBL15270672 0.78 KMT2A (0.64) QRFPRKMT2AALDH1A1SMN1; SMN2
SCHEMBL612565 0.78 QRFPR (0.45) QRFPRKMT2ACYP3A4CYP2D6EPHX1
SCHEMBL16143066 0.78 KMT2A (0.47) QRFPRKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090281149-A1 Amine Derivative Compounds for Treating Ophthalmic Diseases and Disorders ACUCELA, INC. (US) 2009-11-12 US disclosed
WO-2009058216-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2009-05-07 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-20090281149-A1 Amine Derivative Compounds for Treating Ophthalmic Diseases and Disorders PDE6D, CLN6, AADAT QRFPR 3141/4885KMT2A 1037/4885PRMT6 516/4885

“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.