SCHEMBL3018336

SCHEMBL3018336

Cc1ccc(-c2csc(N3CCN(S(=O)(=O)c4cccc([N+](=O)[O-])c4)CC3)n2)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.58
ALDH1A1 P00352 4/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
NPC1 O15118 1/20 0.53
POLB P06746 1/20 0.53
RAB9A P51151 1/20 0.53
MAPT P10636 6/20 0.52
USP2 O75604 2/20 0.52
RECQL P46063 1/20 0.52
HSD17B10 Q99714 1/20 0.52
LMNA P02545 5/20 0.52
GBA1 P04062 1/20 0.51
HTT P42858 1/20 0.50
MAPK1 P28482 1/20 0.50

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
SCHEMBL3017989 0.93 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL3019182 0.92 MAPT (0.56) SMN1; SMN2ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL3011831 0.91 GBA1 (0.60) SMN1; SMN2ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL3003044 0.91 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL3010393 0.91 SMN1; SMN2 (0.63) SMN1; SMN2ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL3006137 0.90 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL3013618 0.90 MAPT (0.61) SMN1; SMN2ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL3011755 0.89 SMN1; SMN2 (0.66) SMN1; SMN2ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL3012719 0.88 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL3019484 0.88 AR (0.53) SMN1; SMN2ALDH1A1L3MBTL1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8658637-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-25 US claimed
US-20100197678-A1 Glucocorticoid Mimetics, Methods of Making Them, Pharmaceutical Compositions and Uses Thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-05 US claimed
EP-2188272-B1 PHENYL- AND BENZYLTHIAZOLYLPIPERAZINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES REMYND NV (BE) 2016-02-24 EP disclosed
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-8658637-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-25 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
US-20100197678-A1 Glucocorticoid Mimetics, Methods of Making Them, Pharmaceutical Compositions and Uses Thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 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 (2 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 SMN1; SMN2 1/4885ALDH1A1 3510/4885L3MBTL1 1847/4885
US-20100197678-A1 Glucocorticoid Mimetics, Methods of Making Them, Pharmaceutical Compositions and Uses Thereof NR3C1, NR3C2, MC2R SMN1; SMN2 3336/4885ALDH1A1 3671/4885L3MBTL1 3258/4885

“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.