SCHEMBL414600

SCHEMBL414600

O=C(O)CCCn1cc(-c2ccc(F)cc2)cn1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.52
PDK2 Q15119 10/20 0.52
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
CREBBP Q92793 1/20 0.46
MAPK13 O15264 1/20 0.45
MAPK12 P53778 1/20 0.45
MAPK11 Q15759 1/20 0.45
MAPK14 Q16539 1/20 0.45
NPC1 O15118 1/20 0.45
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41
POLB P06746 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
SCHEMBL562604 0.87 L3MBTL1 (0.53) SMN1; SMN2PDK2KMT2AALDH1A1KDM4E
SCHEMBL15327008 0.79 HCRTR1 (0.46) SMN1; SMN2PDK2CREBBP
SCHEMBL9977896 0.78 CREBBP (0.51) CREBBP
Hydrochloric Acid SCHEMBL15326968 0.77 CREBBP (0.50) CREBBP
SCHEMBL5901517 0.75 CREBBP (0.52) CREBBP
SCHEMBL417546 0.75 PTGIR (0.50) SMN1; SMN2PDK2ALDH1A1TDP1MAPK13
SCHEMBL415468 0.74 GABRA1 (0.47) KMT2AALDH1A1MAPK13MAPK12MAPK11
SCHEMBL416691 0.73 PLA2G7 (0.46) TDP1
SCHEMBL10149309 0.72 L3MBTL1 (0.47) PDK2KMT2AALDH1A1
SCHEMBL13127885 0.72 ALDH1A1 (0.50) SMN1; SMN2PDK2KMT2AALDH1A1TDP1

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 SMN1; SMN2 4050/4885PDK2 1904/4885KMT2A 2843/4885

“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.