SCHEMBL3014841

SCHEMBL3014841

O=S(=O)(c1ccc(Cl)cc1)C1CCN(c2nc(Cc3cccc(Br)c3)cs2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.38
ERBB2 P04626 1/20 0.38
HTR2A P28223 4/20 0.38
MAPT P10636 4/20 0.37
KCNH2 Q12809 3/20 0.37
HTR2C P28335 2/20 0.37
DRD2 P14416 1/20 0.37
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTR1A P08908 1/20 0.35
HTR7 P34969 1/20 0.35
GBA1 P04062 2/20 0.35
NPC1 O15118 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL3005427 0.93 RAB9A (0.37) EGFRERBB2HTR2AMAPTKCNH2
SCHEMBL3013636 0.93 RAB9A (0.38) EGFRERBB2HTR2AMAPTKCNH2
SCHEMBL3008542 0.92 MAPT (0.36) EGFRERBB2HTR2AMAPTKCNH2
SCHEMBL3017749 0.92 RAB9A (0.39) HTR2AMAPTKCNH2HTR2CRAB9A
SCHEMBL3010771 0.91 HTR2A (0.34) HTR2AKCNH2HTR2CRAB9ASMN1; SMN2
SCHEMBL3017160 0.91 HTR2A (0.39) EGFRERBB2HTR2AMAPTKCNH2
SCHEMBL3007893 0.91 HTR2A (0.35) HTR2AKCNH2HTR2CRAB9ASMN1; SMN2
SCHEMBL3004421 0.91 GBA1 (0.42) EGFRERBB2HTR2AMAPTKCNH2
SCHEMBL3003523 0.90 HTR2A (0.38) HTR2AKCNH2HTR2CRAB9ASMN1; SMN2
SCHEMBL3001961 0.90 HTR2A (0.34) EGFRERBB2HTR2AMAPTKCNH2

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-8722681-B2 N-sulfonyl thiazolylpiperazine derivatives and related N-sulfonyl heterocyclic derivatives for the treatment of neuro degenerative diseases NV REMYND (BE) 2014-05-13 US disclosed
US-20100197703-A1 N-SULFONYL THIAZOLYLPIPERAZINE DERIVATIVES AND RELATED N-SULFONYL HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES NV REMYND (BE) 2010-08-05 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-20100197703-A1 N-SULFONYL THIAZOLYLPIPERAZINE DERIVATIVES AND RELATED N-SULFONYL HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES SMN1; SMN2, HTT, SNCA EGFR 4702/4885ERBB2 3807/4885HTR2A 752/4885

“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.