SCHEMBL3759223

SCHEMBL3759223

O=C(Cc1cc[c]cc1)NCN1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
CYP2D6 P10635 1/20 0.46
ALDH1A1 P00352 2/20 0.42
OPRK1 P41145 1/20 0.40
KMT2A Q03164 5/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 3/20 0.38
PKM P14618 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NR4A1 P22736 1/20 0.38
KCNQ2 O43526 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
BCL3 P20749 1/20 0.36

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
SCHEMBL3751891 0.75 ALDH1A1 (0.43) GAASMN1; SMN2CYP2D6ALDH1A1KMT2A
SCHEMBL3756708 0.74 KMT2A (0.41) GAASMN1; SMN2ALDH1A1KMT2AMAPT
SCHEMBL3114053 0.74 KMT2A (0.58) GAASMN1; SMN2ALDH1A1KMT2APOLB
SCHEMBL16511117 0.72 GAA (0.83) GAASMN1; SMN2CYP2D6ALDH1A1OPRK1
SCHEMBL3771070 0.71 SMN1; SMN2 (0.62) GAASMN1; SMN2ALDH1A1KMT2APOLB
SCHEMBL16511120 0.71 GAA (0.81) GAASMN1; SMN2CYP2D6ALDH1A1OPRK1
SCHEMBL3108758 0.70 HPGD (0.45) GAAALDH1A1MAPTKDM4EL3MBTL1
SCHEMBL3760001 0.70 SMN1; SMN2 (0.65) GAASMN1; SMN2ALDH1A1KMT2APOLB
SCHEMBL1570263 0.70 LMNA (0.44) GAAALDH1A1KMT2APOLB
SCHEMBL16511225 0.70 ALDH1A1 (0.75) GAASMN1; SMN2CYP2D6ALDH1A1KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2029570-B1 FUSED THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2014-10-15 EP disclosed
US-8324204-B2 Fused thiophene derivatives as kinase inhibitors UCB PHARMA SA (BE) 2012-12-04 US disclosed
US-20100305066-A1 Fused Thiophene Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2010-12-02 US disclosed
WO-2009122148-A1 FUSED THIOPHENE AND THIAZOLE DERIVATIVES AS PI3K KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-10-08 WO disclosed
WO-2009071890-A1 TRICYCLIC KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-06-11 WO disclosed
WO-2009071895-A1 FUSED THIAZOLE AND THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-06-11 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-20100305066-A1 Fused Thiophene Derivatives as Kinase Inhibitors PIKFYVE, PI4KA, PIK3CA GAA 1593/4885SMN1; SMN2 1864/4885CYP2D6 1642/4885

“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.