SCHEMBL424298

SCHEMBL424298

O=C(N1CCCc2ccccc21)n1cnc(-c2ccc(F)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
RAB9A P51151 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
POLB P06746 1/20 0.53
MAPK1 P28482 2/20 0.53
MAPT P10636 2/20 0.53
PDE4B Q07343 1/20 0.52
PDE4D Q08499 1/20 0.52
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
LMNA P02545 4/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
NOTUM Q6P988 1/20 0.46
RECQL P46063 1/20 0.46
AVPR2 P30518 1/20 0.45
OXTR P30559 1/20 0.45
AVPR1A P37288 1/20 0.45
KDM4E B2RXH2 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL424291 0.91 RECQL (0.55) ALDH1A1RAB9ASMN1; SMN2POLBMAPK1
SCHEMBL425435 0.83 SMN1; SMN2 (0.47) ALDH1A1RAB9ASMN1; SMN2POLBMAPT
SCHEMBL425419 0.80 ALDH1A1 (0.59) ALDH1A1RAB9ASMN1; SMN2MAPK1MAPT
SCHEMBL29598058 0.74 ALDH1A1 (0.59) ALDH1A1RAB9ASMN1; SMN2POLBMAPK1
SCHEMBL4019697 0.73 SMN1; SMN2 (0.79) ALDH1A1SMN1; SMN2POLBMAPTKMT2A
SCHEMBL27197599 0.71 POLB (0.64) ALDH1A1RAB9ASMN1; SMN2POLBPDE4B
SCHEMBL29598005 0.71 POLB (0.64) ALDH1A1RAB9ASMN1; SMN2POLBPDE4B
SCHEMBL1855923 0.71 SMN1; SMN2 (0.57) ALDH1A1SMN1; SMN2POLBMAPTKMT2A
SCHEMBL2071679 0.70 POLB (0.52) ALDH1A1RAB9ASMN1; SMN2POLBMAPK1
SCHEMBL2071682 0.70 POLB (0.52) ALDH1A1RAB9ASMN1; SMN2POLBMAPK1

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 ALDH1A1 294/4885RAB9A 2266/4885SMN1; SMN2 2818/4885

“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.