SCHEMBL4828997

SCHEMBL4828997

O=C(CCc1cnn(-c2ccccc2)c1-c1ccccc1)Nc1ccc(CP(=O)(O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.44
DGAT2 Q96PD7 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 2/20 0.42
HPGD P15428 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
CYP2C8 P10632 1/20 0.41
CYP2C9 P11712 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
MAPT P10636 4/20 0.40
TP53 P04637 2/20 0.40
LMNA P02545 2/20 0.40
TSHR P16473 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40

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
SCHEMBL4834870 0.87 ALDH1A1 (0.43) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL4826040 0.87 NPC1 (0.44) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL4836350 0.84 CYP2C9 (0.46) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL4834860 0.82 MAPT (0.44) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL4831316 0.81 ALDH1A1 (0.49) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL4826152 0.81 MAPT (0.51) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL6432318 0.81 GAA (0.49) MEN1KMT2ANPC1RAB9ACYP2C8
SCHEMBL27612962 0.78 MAPT (0.43) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL27613226 0.78 MAPT (0.59) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL4834035 0.77 ENPP2 (0.46) ENPP2DGAT2MEN1KMT2ANPC1

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 ENPP2 1265/4885DGAT2 1992/4885MEN1 3516/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 ENPP2 1265/4885DGAT2 1992/4885MEN1 3516/4885

“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.