SCHEMBL1710514

SCHEMBL1710514

COc1ccccc1CSc1cccc(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
MAOA P21397 1/20 0.45
QRFPR Q96P65 1/20 0.45
HPGD P15428 2/20 0.43
LMNA P02545 3/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
MC4R P32245 3/20 0.41
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL8611008 0.82 SMN1; SMN2 (0.55) SMN1; SMN2KMT2AALDH1A1MEN1QRFPR
SCHEMBL28104580 0.82 SMN1; SMN2 (0.48) SMN1; SMN2KMT2AALDH1A1MEN1MAOA
SCHEMBL28104581 0.82 QRFPR (0.45) SMN1; SMN2KMT2AKDM4EALDH1A1MEN1
SCHEMBL1710758 0.75 TAAR1 (0.48) QRFPR
SCHEMBL28104545 0.74 SMN1; SMN2 (0.48) SMN1; SMN2KMT2AALDH1A1MEN1QRFPR
SCHEMBL28543149 0.74 HPGD (0.58) SMN1; SMN2KMT2AALDH1A1QRFPRHPGD
SCHEMBL4823936 0.74 KDM4E (0.47) SMN1; SMN2KMT2AKDM4EALDH1A1MEN1
SCHEMBL13715319 0.73 MAPT (0.56) SMN1; SMN2KMT2AKDM4EALDH1A1MEN1
SCHEMBL18920757 0.72 KDM4E (0.46) SMN1; SMN2KMT2AKDM4EALDH1A1MEN1
SCHEMBL4007811 0.72 KDM4E (0.46) SMN1; SMN2KMT2AKDM4EALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2344451-A2 SULFUR-LINKED COMPOUNDS FOR TREATING OPTHALMIC DISEASES AND DISORDERS Acucela, Inc. (US) 2011-07-20 EP disclosed
US-20100093865-A1 SULPHUR-LINKED COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-04-15 US disclosed
WO-2010028088-A2 SULFUR-LINKED COMPOUNDS FOR TREATING OPTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-03-11 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-20100093865-A1 SULPHUR-LINKED COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ALDH1A2, MPST, CLN6 SMN1; SMN2 129/4885KMT2A 2843/4885KDM4E 3778/4885

“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.