SCHEMBL2614484

SCHEMBL2614484

Cc1nc(C)c(C#N)c(C)c1Cl

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.63
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
GLA P06280 1/20 0.63
TSHR P16473 1/20 0.63
THRB P10828 1/20 0.47
CYP1A2 P05177 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
GAA P10253 2/20 0.45
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP3A4 P08684 2/20 0.44
LMNA P02545 2/20 0.44
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 5/20 0.42
POLB P06746 1/20 0.42
POLQ O75417 2/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL8471830 0.84 KMT2A (0.61) HTTMEN1KMT2AGLATSHR
SCHEMBL29799018 0.84 KMT2A (0.61) HTTMEN1KMT2AGLATSHR
SCHEMBL9909077 0.83 ALDH1A1 (0.46) HTTMEN1KMT2AGLATSHR
SCHEMBL24233046 0.81 HTT (0.58) HTTMEN1KMT2AGLATSHR
SCHEMBL4673214 0.81 HTT (0.58) HTTMEN1KMT2AGLATSHR
SCHEMBL15128087 0.78 KDM4E (0.41) HTTMEN1KMT2AGLATSHR
SCHEMBL22890776 0.77 MEN1 (0.45) HTTMEN1KMT2AGLATSHR
SCHEMBL3018446 0.77 CYP1A2 (0.59) HTTMEN1KMT2AGLATSHR
SCHEMBL31644374 0.77 HTT (0.53) HTTMEN1KMT2AGLATSHR
SCHEMBL22312224 0.75 HTT (0.51) HTTMEN1KMT2AGLATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120095012-A1 TOLUIDINE SULFONAMIDES AND THEIR USE ELARA PHARMACEUTICALS GMBH (DE) 2012-04-19 US disclosed
WO-2010085968-A1 TOLUIDINE SULFONAMIDES AND THEIR USE AS HIF-INHIBITORS EUROPEAN MOLECULAR BIOLOGY LABORATORY (EMBL) (DE) 2010-08-05 WO disclosed
WO-2010076034-A1 TOLUIDINE SULFONAMIDES AND THEIR USE AS-INHIBITORS EUROPEAN MOLECULAR BIOLOGY LABORATORY (EMBL) (DE) 2010-07-08 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-20120095012-A1 TOLUIDINE SULFONAMIDES AND THEIR USE HIF1A, HIF1AN, EGLN3 HTT 1357/4885MEN1 3143/4885KMT2A 290/4885

“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.