SCHEMBL659705

SCHEMBL659705

CC1=CCC(C(=O)NNC(=O)C2=CN(CC(=O)c3cccs3)C=CC2)=CN1CC(=O)c1cccs1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
TSHR P16473 3/20 0.36
HTT P42858 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALOX15 P16050 1/20 0.36
ERCC5 P28715 1/20 0.35
FEN1 P39748 1/20 0.35
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CTNNB1 P35222 1/20 0.34
WNT3A P56704 1/20 0.34
POLB P06746 2/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL661687 0.89 ERCC5 (0.43) ALDH1A1TSHRHTTMEN1KMT2A
SCHEMBL27871718 0.87 ERCC5 (0.43) ALDH1A1TSHRHTTMEN1KMT2A
SCHEMBL660111 0.86 RAB9A (0.46) ALDH1A1MEN1KMT2AERCC5FEN1
SCHEMBL7807379 0.86 ALDH1A1 (0.41) ALDH1A1TSHRHTTMEN1KMT2A
SCHEMBL7799733 0.84 ALDH1A1 (0.42) ALDH1A1TSHRHTTMEN1KMT2A
SCHEMBL287219 0.83 TSHR (0.42) ALDH1A1TSHRHTTMEN1KMT2A
SCHEMBL661571 0.83 RAB9A (0.52) ALDH1A1TSHRHTTMEN1KMT2A
SCHEMBL661266 0.82 ALDH1A1 (0.38) ALDH1A1TSHRHTTMEN1KMT2A
SCHEMBL287773 0.81 ALDH1A1 (0.39) ALDH1A1TSHRHTTMEN1KMT2A
SCHEMBL286969 0.80 ALDH1A1 (0.42) ALDH1A1TSHRMEN1KMT2AERCC5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS DUTT CHAITANYA (IN) 2012-02-23 US claimed
US-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS DUTT CHAITANYA (IN) 2012-02-23 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-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS AGER, REN, AGT ALDH1A1 676/4885TSHR 4816/4885HTT 75/4885

“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.