SCHEMBL4129846

SCHEMBL4129846

CN(Cc1nc(-c2ccccc2F)c(Sc2ccc(Cl)nc2)s1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CTSA P10619 1/20 0.32
GRIN2B Q13224 1/20 0.31
ACKR3 P25106 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GPBAR1 Q8TDU6 1/20 0.31
MAPT P10636 2/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
LMNA P02545 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC6 Q9UBN7 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
SCHEMBL4138886 0.90 DHODH (0.32) ALDH1A1MEN1KMT2AKDM4EGPBAR1
SCHEMBL3651112 0.88 HTR2C (0.33) ALDH1A1
SCHEMBL4125425 0.87 ALDH1A1 (0.36) ALDH1A1ACKR3KDM4EMAPT
SCHEMBL3651373 0.87 NFE2L2 (0.30)
SCHEMBL4125987 0.81 PLA2G7 (0.35) ALDH1A1KMT2AKDM4ELMNA
SCHEMBL4129852 0.81 HIF1A (0.38) ALDH1A1MAPTLMNA
SCHEMBL3807952 0.80 MAPT (0.33) ALDH1A1CTSAACKR3KDM4EMAPT
SCHEMBL3651371 0.79 CTSA (0.33) ALDH1A1CTSA
SCHEMBL4135579 0.79 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AMAPTTRPM8
SCHEMBL4131857 0.79 MAPT (0.31) ALDH1A1ACKR3KDM4EMAPT

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
EP-2190822-B1 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2014-12-31 EP disclosed
US-20090156642-A1 5-Membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 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-20090156642-A1 5-Membered heterocyclic compound CEL, PGA5, COG5 ALDH1A1 1497/4885MEN1 1910/4885KMT2A 4776/4885

“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.