SCHEMBL4510108

SCHEMBL4510108

O=C1C(Cc2ccc(C(F)(F)F)cc2Cl)CCN1N1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TSHR P16473 1/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
DAO P14920 1/20 0.40
P2RX7 Q99572 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAOA P21397 1/20 0.34
CYP26A1 O43174 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
DDR1 Q08345 2/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
HTR2A P28223 2/20 0.34

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
SCHEMBL3878989 0.85 KMT2A (0.39) ALDH1A1KMT2ATSHRL3MBTL1P2RX7
SCHEMBL4517686 0.83 CYP26A1 (0.35) ALDH1A1MEN1KMT2AL3MBTL1CYP26A1
Trifluoroacetic Acid SCHEMBL3881104 0.82 KMT2A (0.39) KMT2A
SCHEMBL4517138 0.81 HSD11B1 (0.52) ALDH1A1MEN1KMT2ATSHRATM
SCHEMBL4509869 0.81 HTR1A (0.42) ALDH1A1L3MBTL1P2RX7CYP26A1PSEN1
SCHEMBL4509124 0.78 DAO (0.36) ATMDAOP2RX7CYP26A1HTR2A
SCHEMBL4516396 0.77 HTR1A (0.35) KDM4EMAOA
SCHEMBL4500855 0.76 HSD11B1 (0.40) ALDH1A1MEN1KMT2ATSHRATM
SCHEMBL4517574 0.75 P2RX7 (0.47) ALDH1A1MEN1KMT2ATSHRATM
SCHEMBL4514217 0.74 KMT2A (0.41) ALDH1A1KMT2ATSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 US disclosed
US-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 US disclosed
US-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 US disclosed
EP-1864971-A1 PROPHYLACTIC/THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2007-12-12 EP disclosed
EP-1864971-A1 PROPHYLACTIC/THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2007-12-12 EP 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-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes HSD11B1, HSD17B1, HSD11B2 ALDH1A1 51/4885MEN1 1254/4885KMT2A 2379/4885

“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.