SCHEMBL3959614

SCHEMBL3959614

Oc1ccc(Cl)cc1-c1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
KDM4E B2RXH2 2/20 0.49
POLB P06746 2/20 0.49
PKM P14618 1/20 0.48
MAPT P10636 3/20 0.47
LMNA P02545 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
HPGD P15428 1/20 0.47
XBP1 P17861 1/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
HTT P42858 2/20 0.47
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
P2RX1 P51575 1/20 0.44
P2RX4 Q99571 1/20 0.44
P2RX7 Q99572 1/20 0.44
TMPRSS4 Q9NRS4 1/20 0.44

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
SCHEMBL27437607 0.79 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2KDM4EPOLBPKM
SCHEMBL10807183 0.78 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2KDM4EPOLBPKM
SCHEMBL10757128 0.78 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2KDM4EPOLBPKM
SCHEMBL11558383 0.77 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2KDM4EPOLBPKM
SCHEMBL6177056 0.77 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2KDM4EPOLBPKM
SCHEMBL6175342 0.76 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2KDM4EPOLBPKM
SCHEMBL10963741 0.75 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2KDM4EPOLBPKM
SCHEMBL10585717 0.75 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2KDM4EPOLBPKM
SCHEMBL6176174 0.75 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2KDM4EPOLBPKM
SCHEMBL11077845 0.74 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2KDM4EPOLBPKM

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-20090076268-A1 Facile assembly of fused benzofuro-heterocycles JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-19 US disclosed
US-20090076268-A1 Facile assembly of fused benzofuro-heterocycles JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-19 US disclosed
US-20090076268-A1 Facile assembly of fused benzofuro-heterocycles JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-19 US disclosed
WO-2009035668-A1 FACILE ASSEMBLY OF FUSED BENZOFURO-HETEROCYCLES JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-19 WO disclosed
WO-2009035668-A1 FACILE ASSEMBLY OF FUSED BENZOFURO-HETEROCYCLES JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-19 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-20090076268-A1 Facile assembly of fused benzofuro-heterocycles BICRA, DDC, DDT ALDH1A1 739/4885SMN1; SMN2 3741/4885KDM4E 1620/4885

“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.