SCHEMBL427654

SCHEMBL427654

O=C(N1CCN(c2ccccc2)CC1)n1cnc(-c2cccs2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.53
ALDH1A1 P00352 4/20 0.53
HTT P42858 1/20 0.53
MAPT P10636 6/20 0.52
MAPK1 P28482 2/20 0.52
ALOX15 P16050 1/20 0.52
FAAH O00519 1/20 0.51
MGLL Q99685 1/20 0.51
KDM4E B2RXH2 4/20 0.47
HPGD P15428 3/20 0.47
POLB P06746 1/20 0.47
MEN1 O00255 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
GBA1 P04062 3/20 0.45
CYP2C9 P11712 3/20 0.45
CYP2C19 P33261 3/20 0.45
AKR1C3 P42330 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
PKM P14618 1/20 0.44

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
SCHEMBL424475 0.83 SMN1; SMN2 (0.53) LMNAALDH1A1HTTMAPTMAPK1
SCHEMBL425498 0.83 FAAH (0.58) LMNAALDH1A1MAPTMAPK1ALOX15
SCHEMBL425698 0.76 FAAH (0.50) LMNAALDH1A1HTTMAPTMAPK1
SCHEMBL424502 0.72 FAAH (0.54) LMNAALDH1A1MAPTMAPK1ALOX15
SCHEMBL426884 0.72 PARP10 (0.56) LMNAALDH1A1HTTMAPTFAAH
SCHEMBL7890316 0.70 AKR1C3 (0.45) LMNAALDH1A1HTTMAPTFAAH
SCHEMBL426876 0.70 POLB (0.44) LMNAALDH1A1HTTMAPTFAAH
SCHEMBL27792690 0.70 AKR1C3 (0.82) LMNAALDH1A1HTTMAPTMAPK1
SCHEMBL6694168 0.69 ALDH1A1 (1.00) LMNAALDH1A1HTTMAPTMAPK1
SCHEMBL427298 0.69 TSHR (0.51) ALDH1A1HTTMAPTFAAHMGLL

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 6 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-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
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 LMNA 2523/4885ALDH1A1 294/4885HTT 900/4885

“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.