SCHEMBL2998029

SCHEMBL2998029

O=C(CCl)Cc1cccc([N+](=O)[O-])c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.65
ALDH1A1 P00352 8/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
LMNA P02545 3/20 0.52
MAPT P10636 2/20 0.52
NPC1 O15118 1/20 0.52
HTT P42858 1/20 0.52
RAB9A P51151 1/20 0.52
ATM Q13315 1/20 0.52
SIGMAR1 Q99720 2/20 0.49
CES2 O00748 1/20 0.49
CES1 P23141 1/20 0.49
KDM4E B2RXH2 2/20 0.48
MAPK1 P28482 2/20 0.48
POLB P06746 1/20 0.48
HPGD P15428 1/20 0.48
TP53 P04637 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALOX15 P16050 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL28977512 0.85 ALDH1A1 (0.64) TSHRALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL6275759 0.84 TSHR (0.56) TSHRALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL568614 0.84 TSHR (0.56) TSHRALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL641742 0.83 TSHR (0.64) TSHRALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL296300 0.81 TSHR (0.61) TSHRALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL2651119 0.81 TSHR (0.61) TSHRALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL11362791 0.81 TSHR (0.61) TSHRALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL2985912 0.80 TSHR (0.51) TSHRALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL2082576 0.80 TSHR (0.59) TSHRALDH1A1SMN1; SMN2LMNASIGMAR1
SCHEMBL48947 0.80 TSHR (0.59) TSHRALDH1A1SMN1; SMN2LMNASIGMAR1

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 5 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
US-20040267017-A1 3-pyridyl or 4-isoquinolinyl thiazoles as c17, 20 lyase inhibitors BAYER PHARMACEUTICALS CORPORATION 2004-12-30 US disclosed
EP-1432706-A2 3-PYRIDYL OR 4-ISOQUINOLINYL THIAZOLES AS C17,20 LYASE INHIBITORS Bayer Pharmaceuticals Corporation (US) 2004-06-30 EP disclosed
WO-2003027085-A2 3-PYRIDYL OR 4-ISOQUINOLINYL THIAZOLES AS C17,20 LYASE INHIBITORS BAYER PHARMACEUTICALS CORPORATION (US) 2003-04-03 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 (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 TSHR 3320/4885ALDH1A1 3510/4885SMN1; SMN2 1/4885
US-20040267017-A1 3-pyridyl or 4-isoquinolinyl thiazoles as c17, 20 lyase inhibitors CYP17A1, CYP21A2, HSD17B1 TSHR 3750/4885ALDH1A1 88/4885SMN1; SMN2 4305/4885

“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.