SCHEMBL425835

SCHEMBL425835

O=C(N1CCc2ccccc2C1)n1cnc(-c2ccc(Cl)cc2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.54
POLB P06746 1/20 0.51
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
PDE4B Q07343 1/20 0.50
PDE4D Q08499 1/20 0.50
GAA P10253 1/20 0.50
HPGD P15428 3/20 0.48
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
FAAH O00519 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
TAS1R2 Q8TE23 1/20 0.44
NOTUM Q6P988 1/20 0.44
CNR1 P21554 1/20 0.43
HSP90AA1 P07900 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL425576 0.77 LIPE (0.56) AKR1C3POLBKMT2AMEN1GAA
SCHEMBL425860 0.75 ALDH1A1 (0.46) AKR1C3HPGDALDH1A1SMN1; SMN2
SCHEMBL427021 0.74 PRMT5 (0.49) KMT2AMEN1HPGDALDH1A1
SCHEMBL462380 0.74 MAP4K4 (0.38) POLBHPGD
SCHEMBL427075 0.74 BRD4 (0.38) POLBHPGD
SCHEMBL425673 0.72 POLB (0.51) POLBGAAHPGDTDP1ALDH1A1
SCHEMBL27901981 0.72 NOTUM (0.72) AKR1C3KMT2AMEN1HPGDALDH1A1
SCHEMBL427456 0.71 SCN5A (0.51) POLBKMT2AMEN1ALDH1A1LMNA
SCHEMBL427298 0.69 TSHR (0.51) AKR1C3KMT2AHPGDALDH1A1HTT
SCHEMBL24937769 0.68 NOTUM (0.58) AKR1C3KMT2AMEN1GAAHPGD

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-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 US disclosed
WO-2010074588-A2 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2010-07-01 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-20120065191-A1 PHARMACEUTICAL COMPOUNDS FAAH, FAAH2, ASAH1 AKR1C3 433/4885POLB 2792/4885KMT2A 2067/4885

“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.