SCHEMBL418623

SCHEMBL418623

N#Cc1cccc2c1ccn2CCCC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.50
PTGDR2 Q9Y5Y4 1/20 0.46
FABP4 P15090 2/20 0.46
FABP5 Q01469 2/20 0.46
MAPT P10636 2/20 0.43
HTT P42858 1/20 0.43
PRMT5 O14744 1/20 0.43
TERT O14746 2/20 0.42
ALDH1A1 P00352 3/20 0.41
GALR3 O60755 1/20 0.41
RAB9A P51151 1/20 0.41
POLB P06746 1/20 0.40
KMT2A Q03164 2/20 0.40
CREBBP Q92793 1/20 0.40
MEN1 O00255 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PARP1 P09874 1/20 0.39
NR3C1 P04150 1/20 0.39

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
SCHEMBL2777064 0.83 STAT3 (0.67) STAT3PTGDR2MAPTPRMT5ALDH1A1
SCHEMBL402848 0.83 MAPT (0.56) MAPTHTTALDH1A1POLBCREBBP
SCHEMBL27587633 0.80 HTR2C (0.56) PTGDR2FABP4FABP5TERTCREBBP
SCHEMBL27844923 0.80 MAPT (0.44) STAT3MAPTHTTPRMT5ALDH1A1
SCHEMBL8266098 0.77 PRMT5 (0.42) STAT3MAPTHTTPRMT5ALDH1A1
SCHEMBL4328977 0.77 PRMT5 (0.42) STAT3MAPTHTTPRMT5ALDH1A1
SCHEMBL399775 0.77 MAPT (0.58) MAPTALDH1A1POLBCREBBPSMN1; SMN2
SCHEMBL4435833 0.76 KDM4E (0.48) STAT3PTGDR2FABP4FABP5TSHR
SCHEMBL16234643 0.76 STAT3 (0.50) STAT3MAPTPRMT5ALDH1A1GALR3
SCHEMBL1796529 0.76 STAT3 (0.50) STAT3MAPTPRMT5ALDH1A1GALR3

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-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2012-01-26 US disclosed
EP-2376431-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2011-10-19 EP disclosed
WO-2010066847-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS CELLVIR (FR) 2010-06-17 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 (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-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS HAVCR2, MAVS, EIF2AK2 STAT3 1013/4885PTGDR2 4330/4885FABP4 3859/4885

“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.