SCHEMBL660571

SCHEMBL660571

COC(=O)c1ccc(C(=O)NNC(=O)C2=CN(CC(=O)c3cccs3)C=CC2)cn1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.41
MAPK1 P28482 1/20 0.38
RAB9A P51151 2/20 0.38
GRIN1 Q05586 4/20 0.37
GRIN2B Q13224 4/20 0.37
KMT2A Q03164 4/20 0.36
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
ITK Q08881 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
CYP2C19 P33261 1/20 0.34
POLB P06746 1/20 0.34
PPARG P37231 1/20 0.34
NR2E3 Q9Y5X4 1/20 0.34
NCOR2 Q9Y618 1/20 0.34
MEN1 O00255 1/20 0.34
NLRP3 Q96P20 1/20 0.34
ELANE P08246 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
SCHEMBL27871728 0.90 TDP1 (0.43) TDP1RAB9AGRIN1GRIN2BKMT2A
SCHEMBL661687 0.83 ERCC5 (0.43) MAPK1RAB9AKMT2ANPC1ALDH1A1
SCHEMBL287147 0.82 KMT2A (0.57) TDP1MAPK1RAB9AKMT2ANPC1
SCHEMBL661571 0.81 RAB9A (0.52) RAB9AKMT2ANPC1ALDH1A1TSHR
SCHEMBL660111 0.81 RAB9A (0.46) RAB9AKMT2ANPC1ALDH1A1L3MBTL1
SCHEMBL7799733 0.79 ALDH1A1 (0.42) MAPK1RAB9AKMT2ANPC1ALDH1A1
SCHEMBL27871718 0.79 ERCC5 (0.43) MAPK1RAB9AKMT2ANPC1ALDH1A1
SCHEMBL287219 0.78 TSHR (0.42) MAPK1RAB9AGRIN1GRIN2BKMT2A
SCHEMBL287773 0.76 ALDH1A1 (0.39) RAB9AKMT2ANPC1ALDH1A1TSHR
SCHEMBL662005 0.76 NPC1 (0.40) TDP1RAB9AGRIN1GRIN2BKMT2A

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 TDP1 1217/4885MAPK1 1750/4885RAB9A 2179/4885

“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.