SCHEMBL6608437

SCHEMBL6608437

Fc1ccc(-n2ccnc2S)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.41
TP53 P04637 1/20 0.39
THRB P10828 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
CYP19A1 P11511 2/20 0.37
HCAR1 Q9BXC0 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NR3C2 P08235 1/20 0.36
MAPT P10636 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL26964238 0.81 ALOX15B (0.49) NOTUMCYP19A1CYP1A2CYP3A4CYP2D6
SCHEMBL6609392 0.80 MAPKAPK2 (0.43) NOTUMCYP19A1CYP1A2CYP3A4CYP2D6
SCHEMBL6177595 0.80 MKNK1 (0.43) SMN1; SMN2LMNACYP19A1CYP1A2CYP3A4
SCHEMBL23196722 0.80 CYP3A4 (0.44) NOTUMSMN1; SMN2GAACYP19A1HCAR1
SCHEMBL10594306 0.80 ENPP2 (0.41) LMNACYP19A1CYP1A2CYP3A4CYP2D6
SCHEMBL353826 0.79 CYP3A4 (0.50) SMN1; SMN2GAACYP1A2CYP3A4CYP2D6
SCHEMBL9802365 0.79 MAPK9 (0.37) SMN1; SMN2GAACYP19A1CYP1A2CYP3A4
SCHEMBL27577364 0.78 CYP3A4 (0.42) NOTUMSMN1; SMN2LMNACYP19A1HCAR1
SCHEMBL2269279 0.78 CYP3A4 (0.49) SMN1; SMN2GAACYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL9763105 0.77 KEAP1 (0.46) NOTUMTHRB

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-20170313661-A1 KINASE MODULATORS FOR THE TREATMENT OF CANCER SYNOVO GMBH (DE) 2017-11-02 US disclosed
WO-2012174164-A2 AGONISTS OF GPR131 AND USES THEREOF METABOLEX, INC. (US) 2012-12-20 WO disclosed
CN-102395567-A Triazole and imidazole derivatives for use as tgr5 agonists in the treatment of diabetes and obesity EXELIXIS INC 2012-03-28 CN disclosed
EP-1373217-A1 2-MERCAPTO-4,5-DIARYLIMIDAZOLE DERIVATIVES AND THE USE THEREOF AS CYCLOOXYGENASE INHIBITORS Beiersdorf AG (DE) 2004-01-02 EP disclosed
WO-2002076951-A1 2-MERCAPTO-4,5-DIARYLIMIDAZOLE DERIVATIVES AND THE USE THEREOF AS CYCLOOXYGENASE INHIBITORS BEIERSDORF AG (DE) 2002-10-03 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 (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-20170313661-A1 KINASE MODULATORS FOR THE TREATMENT OF CANCER MAP3K10, MAP3K12, MAP3K20 NOTUM 4291/4885TP53 149/4885THRB 1411/4885

“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.