SCHEMBL612762

SCHEMBL612762

NCCCc1ccccc1CSC1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.38
QRFPR Q96P65 8/20 0.37
HPGD P15428 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 2/20 0.35
ALOX15 P16050 1/20 0.35
RAB9A P51151 2/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TAAR1 Q96RJ0 1/20 0.33
NR3C1 P04150 1/20 0.32
CARM1 Q86X55 1/20 0.32
PRMT1 Q99873 1/20 0.32
MPO P05164 1/20 0.32
SLC6A4 P31645 1/20 0.32

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
SCHEMBL14394526 0.77 KMT2A (0.45) KMT2AQRFPRHPGDL3MBTL1ALDH1A1
SCHEMBL11359171 0.77 KMT2A (0.41) KMT2AQRFPRHPGDL3MBTL1ALDH1A1
SCHEMBL611355 0.76 QRFPR (0.44) KMT2AQRFPRTAAR1
SCHEMBL29943451 0.73 TAAR1 (0.50) SMN1; SMN2TAAR1MPOSLC6A4
SCHEMBL3678681 0.73 TAAR1 (0.50) SMN1; SMN2TAAR1MPOSLC6A4
SCHEMBL611198 0.72 QRFPR (0.37) KMT2AQRFPRHPGDL3MBTL1ALDH1A1
SCHEMBL14261339 0.70 QRFPR (0.39) KMT2AQRFPRHPGDL3MBTL1ALDH1A1
SCHEMBL612862 0.70 QRFPR (0.39) QRFPRHPGD
SCHEMBL15270672 0.69 KMT2A (0.64) KMT2AQRFPRHPGDL3MBTL1ALDH1A1
SCHEMBL6057114 0.69 KMT2A (0.64) KMT2AQRFPRHPGDL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120041038-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2012-02-16 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-20120041038-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT KMT2A 1037/4885QRFPR 3141/4885HPGD 312/4885

“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.