SCHEMBL3310794

SCHEMBL3310794

O=C(O)Cn1c(=O)c2cc(F)c(F)cc2n(C2CCCC2)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
POLB P06746 1/20 0.41
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 2/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TNF P01375 2/20 0.39
LITAF Q99732 2/20 0.39
OPRL1 P41146 5/20 0.38
OPRM1 P35372 3/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
AKR1A1 P14550 1/20 0.36
AKR1B1 P15121 1/20 0.36
GNRHR P30968 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
OGFOD1 Q8N543 1/20 0.35

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
SCHEMBL3312312 0.86 MEN1 (0.46) ALDH1A1NPSR1POLBKDM4EL3MBTL1
SCHEMBL13332515 0.85 OPRL1 (0.37) ALDH1A1NPSR1POLBKDM4EL3MBTL1
SCHEMBL13332400 0.83 ALDH1A1 (0.62) ALDH1A1NPSR1POLBKDM4EL3MBTL1
SCHEMBL3311905 0.79 NPSR1 (0.36) ALDH1A1NPSR1POLBKDM4EL3MBTL1
SCHEMBL13332744 0.77 MEN1 (0.46) ALDH1A1NPSR1POLBKDM4EL3MBTL1
SCHEMBL13332713 0.77 KMT2A (0.42) ALDH1A1NPSR1POLBKDM4EL3MBTL1
SCHEMBL13332465 0.77 KMT2A (0.42) ALDH1A1POLBKDM4EL3MBTL1TSHR
SCHEMBL13332991 0.76 MEN1 (0.43) ALDH1A1NPSR1POLBKDM4EL3MBTL1
SCHEMBL13332988 0.76 MEN1 (0.41) ALDH1A1NPSR1POLBKDM4EL3MBTL1
SCHEMBL13332461 0.76 KMT2A (0.43) ALDH1A1POLBKDM4EL3MBTL1TSHR

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
US-20100113391-A1 BICYCLIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC. (JP) 2010-05-06 US disclosed
EP-2138482-A1 BICYCLIC HETEROCYCLIC COMPOUND Astellas Pharma Inc. (JP) 2009-12-30 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-20100113391-A1 BICYCLIC HETEROCYCLIC COMPOUND P2RY12, P2RY4, P2RY1 ALDH1A1 1350/4885NPSR1 313/4885POLB 3950/4885

“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.