SCHEMBL4157446

SCHEMBL4157446

C(=Cc1ccc(C=Cc2ccccc2)n1-c1ccccn1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.44
▸ RAB9A P51151 5/20 0.44
▸ MAPT P10636 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ POLB P06746 2/20 0.44
▸ HTT P42858 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ KDM4E B2RXH2 4/20 0.40
▸ LMNA P02545 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ CYP11B1 P15538 1/20 0.40
▸ CYP11B2 P19099 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ MEN1 O00255 5/20 0.39
▸ KMT2A Q03164 5/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ GRM4 Q14833 2/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL4157442 1.00 NPC1 (0.44) NPC1RAB9AMAPTSMN1; SMN2POLB
SCHEMBL4534858 0.87 RAB9A (0.47) NPC1RAB9AMAPTSMN1; SMN2POLB
SCHEMBL4530364 0.83 TRPA1 (0.51) NPC1RAB9AMAPTSMN1; SMN2NPSR1
SCHEMBL4535454 0.74 MAPT (0.49) RAB9AMAPTSMN1; SMN2KDM4ELMNA
SCHEMBL6835939 0.73 ALDH1A1 (0.56) NPC1RAB9AMAPTSMN1; SMN2POLB
SCHEMBL6835941 0.73 ALDH1A1 (0.56) NPC1RAB9AMAPTSMN1; SMN2POLB
SCHEMBL461985 0.70 MEN1 (0.76) NPC1RAB9AMAPTSMN1; SMN2NPSR1
(Z)-1,2-Diphenylethene SCHEMBL28562270 0.70 KDM4E (0.67) NPC1RAB9AMAPTSMN1; SMN2POLB
SCHEMBL30195162 0.70 MEN1 (0.76) NPC1RAB9AMAPTSMN1; SMN2NPSR1
SCHEMBL29389283 0.70 MEN1 (0.76) NPC1RAB9AMAPTSMN1; SMN2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8212048-B2 Method of producing aromatic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-07-03 — — US disclosed
US-20090043096-A1 METHOD OF PRODUCING AROMATIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-02-12 — — 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-20090043096-A1 METHOD OF PRODUCING AROMATIC COMPOUND AHR, CYP1A1, ARNT NPC1 1177/4885RAB9A 3067/4885MAPT 2834/4885

“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.

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