SCHEMBL3011040

SCHEMBL3011040

COc1ccc(OC)c(Cc2csc(N3CCC(S(=O)(=O)c4ccc(CBr)cc4)CC3)n2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 4/20 0.36
HSD17B10 Q99714 2/20 0.36
HPGD P15428 1/20 0.36
MAPT P10636 4/20 0.36
LMNA P02545 2/20 0.36
RECQL P46063 2/20 0.36
POLB P06746 2/20 0.36
ADRB2 P07550 1/20 0.36
TSHR P16473 1/20 0.36
REV1 Q9UBZ9 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
USP2 O75604 1/20 0.35
TP53 P04637 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
OXTR P30559 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
SCHEMBL3007080 0.93 MAPT (0.37) KDM4ERAB9ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL3007192 0.92 SMN1; SMN2 (0.38) KDM4ERAB9ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL3001553 0.91 CMA1 (0.41) KDM4ERAB9ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL3014518 0.91 MAPT (0.39) KDM4ERAB9ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL3021620 0.90 MAPT (0.45) KDM4ERAB9ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL3017438 0.90 KDM4E (0.43) KDM4ERAB9ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL3005203 0.89 LTA4H (0.36) KDM4ERAB9AALDH1A1HSD17B10MAPT
SCHEMBL3017174 0.89 RAB9A (0.41) RAB9ASMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL3016023 0.88 NR1I2 (0.40) KDM4ERAB9ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL3022985 0.88 KDM4E (0.37) KDM4ERAB9ASMN1; SMN2ALDH1A1HPGD

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 KDM4E 4398/4885RAB9A 2943/4885SMN1; SMN2 1/4885

“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.