SCHEMBL2226550

SCHEMBL2226550

CN1CCN(C(=O)O)CC1C(N)=S

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.33
CCR2 P41597 1/20 0.33
KCNH2 Q12809 1/20 0.33
KDM4E B2RXH2 5/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 2/20 0.33
MAPK1 P28482 1/20 0.33
ATM Q13315 1/20 0.33
P2RX7 Q99572 1/20 0.32
LMNA P02545 1/20 0.32
CHRM1 P11229 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP2C19 P33261 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
SCHEMBL12490756 0.85 P2RX7 (0.33) CCR2KCNH2P2RX7CHRM1TDP1
SCHEMBL2225191 0.85 P2RX7 (0.33) CCR2KCNH2P2RX7CHRM1TDP1
SCHEMBL27617063 0.81 AGTR2 (0.36) CCR2KCNH2ATMP2RX7CHRM1
SCHEMBL7254331 0.80 AGTR2 (0.33) ALDH1A1MAPK1LMNAMAPT
SCHEMBL1536762 0.79 TSHR (0.38) KMT2AALDH1A1
SCHEMBL2224868 0.78 ALDH1A1 (0.43) KMT2AKDM4EALDH1A1MAPK1LMNA
SCHEMBL24310950 0.74 MMP1 (0.35) CCR2KCNH2ALDH1A1ATMP2RX7
SCHEMBL23458144 0.72 HSD17B10 (0.43) ALDH1A1MAPK1LMNAMAPTNPSR1
SCHEMBL3309798 0.71 ALDH1A1 (0.42) KMT2AKDM4EALDH1A1LMNAMAPT
SCHEMBL2379763 0.71 CHRM1 (0.49) KDM4EALDH1A1P2RX7LMNACHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8981084-B2 Oxadiazole HDAC inhibitors TEMPERO PHARMACEUTICALS, INC. (US) 2015-03-17 US disclosed
EP-2523664-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals, Inc. (US) 2012-11-21 EP disclosed
US-20120289495-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals Inc. 2012-11-15 US disclosed
WO-2011088192-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 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-20120289495-A1 COMPOUNDS AND METHODS XDH, CCNY, TOP2B KMT2A 2762/4885CCR2 708/4885KCNH2 1203/4885

“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.