SCHEMBL425698

SCHEMBL425698

O=C(N1CCN(c2ccccc2)CC1)n1cnc(-c2cccc3ccccc23)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.50
MGLL Q99685 3/20 0.50
ALDH1A1 P00352 7/20 0.48
KDM4E B2RXH2 6/20 0.48
HSD17B10 Q99714 4/20 0.48
LMNA P02545 4/20 0.48
MAPT P10636 3/20 0.48
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
POLB P06746 1/20 0.48
AKR1C3 P42330 3/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
TSHR P16473 5/20 0.43
USP2 O75604 3/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HIF1A Q16665 1/20 0.42

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
SCHEMBL425498 0.82 FAAH (0.58) FAAHMGLLALDH1A1HSD17B10LMNA
SCHEMBL427654 0.76 LMNA (0.53) FAAHMGLLALDH1A1KDM4EHSD17B10
SCHEMBL424502 0.71 FAAH (0.54) FAAHMGLLALDH1A1HSD17B10LMNA
SCHEMBL426884 0.71 PARP10 (0.56) FAAHMGLLALDH1A1KDM4EHSD17B10
SCHEMBL424517 0.71 SMN1; SMN2 (0.42) ALDH1A1KDM4ELMNAHTTPOLB
SCHEMBL461861 0.70 MAPT (0.45) ALDH1A1KDM4EHSD17B10LMNAMAPT
SCHEMBL5237470 0.70 KDM4E (0.53) ALDH1A1KDM4EHSD17B10LMNAMAPT
SCHEMBL427029 0.70 PARP10 (0.62) FAAHMGLLMAPTHTTMEN1
SCHEMBL7890316 0.70 AKR1C3 (0.45) FAAHMGLLALDH1A1HSD17B10LMNA
SCHEMBL426876 0.70 POLB (0.44) FAAHMGLLALDH1A1HSD17B10LMNA

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 4 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

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 FAAH 1/4885MGLL 11/4885ALDH1A1 294/4885

“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.