SCHEMBL7039626

SCHEMBL7039626

COc1ccc(Oc2c(C)cc([N+](=O)[O-])cc2Cl)cc1S(=O)(=O)Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
TBXA2R P21731 2/20 0.41
MAPT P10636 6/20 0.39
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HPGD P15428 3/20 0.39
PDE7A Q13946 1/20 0.39
ALDH1A1 P00352 4/20 0.39
NPSR1 Q6W5P4 2/20 0.39
CYP2C9 P11712 2/20 0.38
NPC1 O15118 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
RAB9A P51151 1/20 0.38
POLB P06746 1/20 0.38
HTT P42858 2/20 0.38
GAA P10253 2/20 0.37

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
SCHEMBL7208834 0.93 PDE7A (0.42) MEN1KMT2ATBXA2RMAPTLMNA
SCHEMBL4961573 0.93 PDE7A (0.42) MEN1KMT2ATBXA2RMAPTLMNA
SCHEMBL7042931 0.90 MEN1 (0.43) MEN1KMT2ATBXA2RMAPTLMNA
SCHEMBL7044445 0.84 L3MBTL1 (0.51) KMT2ATBXA2RMAPTSMN1; SMN2ALDH1A1
SCHEMBL6273901 0.83 ALDH1A1 (0.41) MEN1KMT2ATBXA2RMAPTLMNA
SCHEMBL6274128 0.82 MAPT (0.43) MEN1KMT2ATBXA2RMAPTLMNA
SCHEMBL6660168 0.81 TLR9 (0.46) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL18998671 0.81 MEN1 (0.51) MEN1KMT2ATBXA2RMAPTLMNA
SCHEMBL14451769 0.81 ALDH1A1 (0.47) MEN1KMT2ATBXA2RLMNAPDE7A
SCHEMBL7042843 0.81 HTT (0.50) MEN1KMT2AMAPTLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030040535-A1 Tetrazole compounds as thyroid receptor ligands ASPNES GARY E (US) 2003-02-27 US disclosed
US-6441015-B2 OBESITY, ANTIDIABETIC AGENTS, CARDIOVASCULAR DISORDERS PFIZER INC. 2002-08-27 US disclosed
US-20020006946-A1 Tetrazole compounds as thyroid receptor ligands PFIZER INC. 2002-01-17 US disclosed
EP-1127882-A1 Tetrazole compounds as thyroid receptor ligands Pfizer Products Inc. (US) 2001-08-29 EP 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-20030040535-A1 Tetrazole compounds as thyroid receptor ligands THRA, TSHR, THRB MEN1 849/4885KMT2A 4107/4885TBXA2R 52/4885
US-20020006946-A1 Tetrazole compounds as thyroid receptor ligands TSHR, THRA, THRB MEN1 1153/4885KMT2A 4126/4885TBXA2R 38/4885

“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.