SCHEMBL5236019

SCHEMBL5236019

CN(C(=O)O)c1c(OCc2cccc3ccccc23)c2cc(Cl)ccc2c(=O)n1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
POLB P06746 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
ALPG P10696 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TSPO P30536 1/20 0.39
DPP4 P27487 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL5240287 0.84 MEN1 (0.43) MEN1KMT2AMAPTLMNACYP1A2
SCHEMBL5237954 0.81 MEN1 (0.43) MEN1KMT2AMAPTLMNACYP1A2
SCHEMBL6106926 0.81 DPP4 (0.39) MEN1KMT2AMAPTLMNACYP1A2
SCHEMBL5236839 0.81 CYP3A4 (0.44) MEN1KMT2ACYP3A4KDM4ETSPO
SCHEMBL5236012 0.80 DPP4 (0.41) MEN1KMT2AMAPTLMNACYP1A2
SCHEMBL5236656 0.80 DPP4 (0.44) MEN1KMT2AMAPTLMNACYP1A2
SCHEMBL5237376 0.80 DHODH (0.41) TSPODPP4TACR1ALDH1A1
SCHEMBL7003591 0.79 DPP4 (0.54) MEN1KMT2AMAPTLMNACYP1A2
SCHEMBL5236940 0.79 MAPT (0.40) MEN1KMT2AMAPTLMNACYP1A2
Hydrochloric Acid SCHEMBL5234930 0.79 DPP4 (0.53) MEN1KMT2AMAPTLMNACYP1A2

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-1355886-B1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2007-07-11 EP disclosed
US-20040082607-A1 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-29 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-20040082607-A1 Fused heterocyclic compounds DPP7, DPP4, METAP1 MEN1 1445/4885KMT2A 452/4885MAPT 4855/4885

“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.