SCHEMBL4834138

SCHEMBL4834138

Nc1ccc(CCc2cscn2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 2/20 0.52
MAOB P27338 4/20 0.45
MAOA P21397 2/20 0.45
CYP19A1 P11511 4/20 0.40
NOS1 P29475 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.35
LTA4H P09960 1/20 0.35
CHKA P35790 1/20 0.35
RECQL P46063 1/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL9252326 0.81 SLC6A3 (0.49) MAOBCYP19A1HDAC1HDAC6ALDH1A1
SCHEMBL5237608 0.78 SLC6A3 (0.34) NOS1ALDH1A1TSHRTDP1LTA4H
Hydrochloric Acid SCHEMBL2363688 0.74 TDP1 (0.39) ALDH1A1TSHRTDP1LTA4HNPC1
Hydrochloric Acid SCHEMBL4757638 0.74
SCHEMBL6391013 0.74 MEN1 (0.35) TDP1NPC1MAPTRAB9A
SCHEMBL4834177 0.73 MAOB (0.46) MAOBMAOATSHRTDP1L3MBTL1
SCHEMBL3482833 0.72 GFER (1.00) GFERMAOBMAOACYP19A1ALDH1A1
SCHEMBL187043 0.72 GFER (1.00) GFERMAOBMAOACYP19A1ALDH1A1
SCHEMBL8164156 0.72 GFER (1.00) GFERMAOBMAOACYP19A1ALDH1A1
SCHEMBL6497887 0.70 KDM4C (0.40) CYP3A4

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-20080287438-A1 Agent for preventing or treating neuropathy MOMOSE YU 2008-11-20 US disclosed
US-7423159-B2 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-09 US disclosed
US-20060004069-A1 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-05 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 (2 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-20060004069-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 GFER 575/4885MAOB 881/4885MAOA 1368/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 GFER 575/4885MAOB 881/4885MAOA 1368/4885

“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.