SCHEMBL2680504

SCHEMBL2680504

CNCc1cccc(SC)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
KDM4E B2RXH2 2/20 0.48
CYP3A4 P08684 1/20 0.48
PRMT6 Q96LA8 7/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
NOS1 P29475 1/20 0.46
EPHX2 P34913 1/20 0.45
HTR7 P34969 1/20 0.42
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HDAC4 P56524 1/20 0.41
MEF2D Q14814 1/20 0.41
LIPG Q9Y5X9 1/20 0.40

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
SCHEMBL1697126 0.80 MAPT (0.64) MAPTKDM4ECYP3A4PRMT6NOS1
SCHEMBL13996922 0.79 MAPT (0.47) MAPTKDM4ESLC6A4ALDH1A1MEN1
Hydrochloric Acid SCHEMBL3273205 0.78 MAPT (0.68) MAPTKDM4ECYP3A4PRMT6NOS1
SCHEMBL5022962 0.77 SIGMAR1 (0.50) MAPTMEN1KMT2A
SCHEMBL4932626 0.77 MAPT (0.62) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL2053212 0.77 MAPT (0.62) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL4597601 0.75 MAPT (0.41) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL7050263 0.75 MAPT (0.41) MAPTKDM4ECYP3A4SLC6A4ALDH1A1
SCHEMBL7827695 0.75 MAPT (0.41) MAPTKDM4ESLC6A4ALDH1A1MEN1
SCHEMBL7050271 0.75 PNMT (0.48) MAPTCYP3A4NOS1ALDH1A1

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-8680139-B2 Anti-neoplastic compounds, compositions and methods PROGENRA (US) 2014-03-25 US disclosed
US-20120114765-A1 ANTI-NEOPLASTIC COMPOUNDS, COMPOSITIONS AND METHODS PROGENRA 2012-05-10 US disclosed
WO-2010114881-A1 ANTI-NEOPLASTIC COMPOUNDS, COMPOSITIONS AND METHODS PROGENRA INC. (US) 2010-10-07 WO disclosed
US-7459460-B2 Trisubstituted heteroaromatic compounds as calcium sensing receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-02 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 (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-20120114765-A1 ANTI-NEOPLASTIC COMPOUNDS, COMPOSITIONS AND METHODS SERPINB1, TP53, CTSE MAPT 3344/4885KDM4E 4000/4885CYP3A4 4099/4885

“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.