SCHEMBL4833529

SCHEMBL4833529

O=C(CCc1nncn1-c1ccc(F)cc1)Nc1ccc(CP(=O)(O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.45
DGAT2 Q96PD7 1/20 0.45
LMNA P02545 3/20 0.42
GAA P10253 3/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
ATM Q13315 2/20 0.42
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
TP53 P04637 2/20 0.41
THRB P10828 1/20 0.41
RXFP1 Q9HBX9 3/20 0.41
MCHR1 Q99705 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC8 Q9BY41 1/20 0.38

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
SCHEMBL4835333 0.88 ATM (0.41) LMNAGAAALDH1A1TSHRATM
SCHEMBL4836520 0.87 TP53 (0.42) LMNAGAAALDH1A1TSHRATM
SCHEMBL4835322 0.83 RXFP1 (0.41) LMNAGAAALDH1A1TSHRATM
SCHEMBL6432392 0.82 RAB9A (0.40) LMNAGAAALDH1A1TSHRATM
SCHEMBL4836514 0.82 RAB9A (0.41) LMNAGAAALDH1A1TSHRATM
SCHEMBL4833854 0.82 ENPP2 (0.45) ENPP2DGAT2LMNAGAAALDH1A1
SCHEMBL6432385 0.81 RAB9A (0.40) LMNAGAAALDH1A1TSHRATM
SCHEMBL27632023 0.78 RAB9A (0.43) LMNAGAAALDH1A1TSHRATM
SCHEMBL4831419 0.78 MMP1 (0.41) LMNAALDH1A1ATMRAB9ANPSR1
SCHEMBL4831431 0.78 MMP1 (0.41) LMNAALDH1A1ATMRAB9ANPSR1

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 5 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
EP-1556032-A1 AGENT FOR PREVENTING OR TREATING NEUROPATHY Takeda Pharmaceutical Company Limited (JP) 2005-07-27 EP disclosed
WO-2004039365-A1 AGENT FOR PREVENTING OR TREATING NEUROPATHY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-05-13 WO 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 1992/4885LMNA 2405/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 ENPP2 1265/4885DGAT2 1992/4885LMNA 2405/4885

“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.