SCHEMBL9925972

SCHEMBL9925972

CC1=C(C#N)C(c2ccc(F)cc2)C2=C(CC(c3cccs3)CC2=O)N1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 14/20 0.54
POLB P06746 3/20 0.54
LMNA P02545 2/20 0.54
AGTR1 P30556 1/20 0.54
ALDH1A1 P00352 12/20 0.52
HSD17B10 Q99714 8/20 0.52
HPGD P15428 8/20 0.52
CASP1 P29466 5/20 0.52
CASP7 P55210 5/20 0.52
MAPT P10636 4/20 0.52
NPSR1 Q6W5P4 3/20 0.52
USP2 O75604 2/20 0.52
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
ALOX15 P16050 1/20 0.52
MAPK1 P28482 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
TSHR P16473 1/20 0.52
GLA P06280 6/20 0.52
GAA P10253 6/20 0.52

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
SCHEMBL9925971 0.82 ALDH1A1 (0.45) KDM4EPOLBLMNAAGTR1ALDH1A1
SCHEMBL12001639 0.82 KDM4E (0.55) KDM4EPOLBLMNAAGTR1ALDH1A1
SCHEMBL9900603 0.80 KDM4E (0.51) KDM4EPOLBLMNAAGTR1ALDH1A1
SCHEMBL11998882 0.78 KDM4E (0.60) KDM4EPOLBLMNAAGTR1ALDH1A1
SCHEMBL9925969 0.78 KDM4E (0.68) KDM4EPOLBLMNAAGTR1ALDH1A1
SCHEMBL9925966 0.77 ABCC9 (0.48) KDM4EPOLBLMNAAGTR1ALDH1A1
SCHEMBL20988857 0.76 LMNA (0.55) KDM4EPOLBLMNAAGTR1ALDH1A1
SCHEMBL3320388 0.73 KDM4E (0.75) KDM4EPOLBLMNAAGTR1ALDH1A1
SCHEMBL12135697 0.72 KDM4E (0.76) KDM4EPOLBLMNAAGTR1ALDH1A1
SCHEMBL9925965 0.70 KDM4E (0.55) KDM4EPOLBLMNAAGTR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120214824-A1 PROTEOSTASIS REGULATORS PROTEOSTASIS THERAPEUTICS, INC. 2012-08-23 US disclosed
US-20120214824-A1 PROTEOSTASIS REGULATORS PROTEOSTASIS THERAPEUTICS, INC. 2012-08-23 US disclosed
WO-2012078902-A2 PROTEOSTASIS REGULATORS PROTEOSTASIS THERAPEUTICS, INC. (US) 2012-06-14 WO 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-20120214824-A1 PROTEOSTASIS REGULATORS PSMG3, HSPA5, HSP90B1 KDM4E 2560/4885POLB 2511/4885LMNA 1401/4885

“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.