SCHEMBL4829260

SCHEMBL4829260

CCC(CC)(c1ccc(NC(=O)C=Cc2cnn(C)c2-c2ccc(C(F)(F)F)cc2)cc1)P(=O)(O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 1/20 0.42
KDR P35968 1/20 0.42
MAOB P27338 1/20 0.41
CCR2 P41597 1/20 0.41
MCHR1 Q99705 12/20 0.40
NAMPT P43490 1/20 0.38
HTR2A P28223 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
HTR2C P28335 1/20 0.38
NPC1 O15118 1/20 0.38
GMNN O75496 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
HTR1A P08908 1/20 0.38
THRB P10828 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
SCHEMBL4829241 1.00 FLT1 (0.42) FLT1KDRMAOBCCR2MCHR1
SCHEMBL4830990 0.93 MAOB (0.41) MAOBNPC1LMNATP53RAB9A
SCHEMBL1060129 0.93 MAOB (0.41) MAOBNPC1LMNATP53RAB9A
SCHEMBL4829079 0.93 MAOB (0.41) MAOBNPC1LMNATP53RAB9A
SCHEMBL4829207 0.92 HDAC1 (0.39) CCR2LMNATP53THRBHTT
SCHEMBL4829186 0.92 HDAC1 (0.39) CCR2LMNATP53THRBHTT
SCHEMBL4829168 0.91 HDAC1 (0.41) MCHR1HTR2AHTR2CNPC1LMNA
SCHEMBL4829196 0.91 HDAC1 (0.41) MCHR1HTR2AHTR2CNPC1LMNA
SCHEMBL4834314 0.91 MAPT (0.41) FLT1KDRMCHR1HTR2AHTR2C
SCHEMBL4834295 0.91 MAPT (0.41) FLT1KDRMCHR1HTR2AHTR2C

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 FLT1 3414/4885KDR 1100/4885MAOB 881/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 FLT1 3414/4885KDR 1100/4885MAOB 881/4885

“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.