SCHEMBL6944130

SCHEMBL6944130

COc1ccc(C(N)C(C)c2ccccc2)c2cc(C(=O)NCCCc3ccccc3)oc12

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 2/20 0.41
NAMPT P43490 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
ABCB1 P08183 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
ACHE P22303 1/20 0.41
EPHX2 P34913 2/20 0.41

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
SCHEMBL6837934 0.89 HTT (0.46) SMN1; SMN2MEN1KMT2AKDM4EALDH1A1
SCHEMBL7145916 0.83 ALDH1A1 (0.49) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL7145923 0.83 ALDH1A1 (0.49) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL6837490 0.81 THRB (0.52) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL6944133 0.80 EPHX2 (0.45) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL7145873 0.80 HTT (0.48) SMN1; SMN2MEN1KMT2AKDM4EALDH1A1
SCHEMBL6837563 0.80 MAPT (0.49) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL6837919 0.79 KMT2A (0.49) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL6837921 0.79 KMT2A (0.49) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL6836456 0.79 ALDH1A1 (0.44) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1

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-6716987-B1 PHOSPHODIESTERASE IV INHIBITORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-04-06 US disclosed
US-6514996-B2 Derivatives of benzofuran or benzodioxole KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-02-04 US disclosed
US-20020128290-A1 DERIVATIVES OF BENZOFURAN OR BENZODIOXOLE KYOWA HAKKO KOGYO CO., LTD. (JP) 2002-09-12 US 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-20020128290-A1 DERIVATIVES OF BENZOFURAN OR BENZODIOXOLE CBR1, CBR3, CYC1 NPC1 956/4885RAB9A 2778/4885SMN1; SMN2 1477/4885

“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.