SCHEMBL1770958

SCHEMBL1770958

CC(=O)Nc1nc2c(s1)C(O)=C(C(=O)c1ccc(N(C)C(=O)OC(C)(C)C)nc1)CCC2.FB(F)F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.34
CFTR P13569 7/20 0.33
NPC1 O15118 2/20 0.32
ALDH1A1 P00352 2/20 0.32
TP53 P04637 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
POLB P06746 1/20 0.32
PI4KA P42356 1/20 0.32
PI4KB Q9UBF8 1/20 0.32
LMNA P02545 2/20 0.31
GAA P10253 2/20 0.31
MAPT P10636 2/20 0.31
HPGD P15428 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
GFER P55789 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL1770081 0.90 PI4KA (0.32) CFTRNPC1ALDH1A1TP53RAB9A
SCHEMBL691255 0.85 ALDH1A1 (0.39) CFTRNPC1ALDH1A1TP53RAB9A
SCHEMBL2671947 0.85 PI4KB (0.36) ALDH1A1PI4KAPI4KBLMNAGAA
SCHEMBL691699 0.83 CFTR (0.34) CFTRNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL1781135 0.79 PIK3CG (0.39) NPC1ALDH1A1TP53RAB9ASMN1; SMN2
SCHEMBL12649471 0.79 LMNA (0.35) ABL1CFTRNPC1ALDH1A1TP53
SCHEMBL1781088 0.79 PI4KB (0.35) ABL1PI4KAPI4KBPIK3CGGPR119
SCHEMBL692451 0.78 NPC1 (0.37) CFTRNPC1ALDH1A1TP53RAB9A
SCHEMBL27852001 0.76 SMN1; SMN2 (0.34) CFTRNPC1ALDH1A1TP53RAB9A
SCHEMBL27869088 0.74 CFTR (0.32) CFTRNPC1ALDH1A1TP53RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110112087-A1 Thia-triaza-cyclopentazulenes BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-12 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-20110112087-A1 Thia-triaza-cyclopentazulenes CCNA1, MKI67, CCNT1 ABL1 148/4885CFTR 253/4885NPC1 686/4885

“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.