SCHEMBL660676

SCHEMBL660676

Cc1ccc(C(=O)CN2CCCC(C(=O)NNS(C)(=O)=O)C2)s1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
TSHR P16473 1/20 0.38
LMNA P02545 2/20 0.38
POLB P06746 1/20 0.37
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 2/20 0.37
GAA P10253 1/20 0.37
RAB9A P51151 1/20 0.36
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GLA P06280 1/20 0.35
F10 P00742 1/20 0.35

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
SCHEMBL287351 0.84 ALDH1A1 (0.51) KMT2AMEN1ALDH1A1KDM4EGAA
SCHEMBL287096 0.78 ALDH1A1 (0.53) KMT2AMEN1TSHRLMNAALDH1A1
SCHEMBL286751 0.78 HTT (0.32) KMT2AMEN1POLBALDH1A1KDM4E
SCHEMBL287107 0.74 LMNA (0.43) KMT2AMEN1TSHRLMNAPOLB
SCHEMBL287111 0.72 HTT (0.37) KMT2AMEN1POLBALDH1A1KDM4E
SCHEMBL279616 0.72 RAB9A (0.49) KMT2AMEN1ALDH1A1KDM4ERAB9A
SCHEMBL287364 0.71 ALDH1A1 (0.51) KMT2AMEN1TSHRLMNAALDH1A1
SCHEMBL279886 0.70 ALDH1A1 (0.42) KMT2AMEN1LMNAPOLBALDH1A1
SCHEMBL660456 0.70 ALDH1A1 (0.55) KMT2AMEN1LMNAPOLBALDH1A1
SCHEMBL661997 0.69 ALDH1A1 (0.49) KMT2AMEN1ALDH1A1KDM4EGAA

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 KMT2A 4512/4885MEN1 1455/4885TSHR 4816/4885

“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.