SCHEMBL5452313

SCHEMBL5452313

O=C(O)Cc1ccc(NCCc2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.61
FFAR1 O14842 8/20 0.59
AKR1B1 P15121 1/20 0.59
RORC P51449 2/20 0.58
FFAR4 Q5NUL3 3/20 0.57
RAB9A P51151 1/20 0.55
GFER P55789 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
GAA P10253 2/20 0.52
ABCC4 O15439 1/20 0.52
LMNA P02545 1/20 0.52
TSHR P16473 1/20 0.52
PTGS1 P23219 1/20 0.52
HTT P42858 1/20 0.52
NR1H4 Q96RI1 1/20 0.49
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48

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
SCHEMBL6031454 0.91 L3MBTL1 (0.51) L3MBTL1FFAR1AKR1B1RORCFFAR4
SCHEMBL11463317 0.87 TRPV1 (0.59) FFAR1AKR1B1FFAR4RAB9AGFER
SCHEMBL9424921 0.86 FFAR1 (0.76) L3MBTL1FFAR1FFAR4
SCHEMBL11653014 0.83 L3MBTL1 (0.86) L3MBTL1FFAR1FFAR4RAB9ASMN1; SMN2
SCHEMBL6031251 0.82 FFAR1 (0.49) L3MBTL1FFAR1AKR1B1RORCFFAR4
SCHEMBL5447986 0.82 FFAR1 (0.84) FFAR1AKR1B1RORCFFAR4RAB9A
SCHEMBL3961745 0.81 AKR1B1 (0.81) L3MBTL1FFAR1AKR1B1SMN1; SMN2GAA
SCHEMBL11259354 0.81 L3MBTL1 (0.63) L3MBTL1FFAR1RORCFFAR4RAB9A
SCHEMBL11346344 0.81 L3MBTL1 (0.63) L3MBTL1FFAR1RORCFFAR4RAB9A
SCHEMBL3841167 0.80 POLB (0.57) FFAR1AKR1B1FFAR4RAB9AGFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070010526-A1 Therapeutic isoquinoline compounds ASTRAZENECA AB (SE) 2007-01-11 US disclosed
EP-1451172-A1 THERAPEUTIC ISOQUINOLINE COMPOUNDS AstraZeneca AB (SE) 2004-09-01 EP disclosed
WO-2003037887-A1 THERAPEUTIC ISOQUINOLINE COMPOUNDS ASTRAZENECA AB (SE) 2003-05-08 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-20070010526-A1 Therapeutic isoquinoline compounds HTR1B, HTR1D, HTR1A L3MBTL1 3948/4885FFAR1 1385/4885AKR1B1 1913/4885

“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.