SCHEMBL426025

SCHEMBL426025

COc1cccc(C(O)c2cccc(-c3cc4ccccc4[nH]3)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.57
NPC1 O15118 5/20 0.57
KDM4E B2RXH2 4/20 0.57
MAPT P10636 4/20 0.57
CASP3 P42574 2/20 0.57
SENP8 Q96LD8 2/20 0.57
SENP7 Q9BQF6 2/20 0.57
SENP6 Q9GZR1 2/20 0.57
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
PDGFRB P09619 2/20 0.45
PDGFRA P16234 2/20 0.45
FLT3 P36888 2/20 0.45
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
POLB P06746 1/20 0.43
EGFR P00533 1/20 0.43
PIK3CA P42336 1/20 0.43

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
SCHEMBL10176551 0.89 NPC1 (0.58) RAB9ANPC1KDM4EMAPTCASP3
SCHEMBL10227489 0.85 NPC1 (0.62) RAB9ANPC1KDM4EMAPTCASP3
SCHEMBL29737278 0.85 RAB9A (0.71) RAB9ANPC1KDM4EMAPTCASP3
SCHEMBL28208371 0.85 RAB9A (0.71) RAB9ANPC1KDM4EMAPTCASP3
SCHEMBL424575 0.84 SMO (0.52) RAB9ANPC1KDM4EMAPTCASP3
SCHEMBL424087 0.80 NPC1 (0.54) RAB9ANPC1KDM4EMAPTCASP3
SCHEMBL430192 0.78 NPC1 (0.57) RAB9ANPC1KDM4EMAPTCASP3
SCHEMBL10176207 0.78 RAB9A (0.57) RAB9ANPC1KDM4EMAPTCASP3
SCHEMBL2093768 0.76 AOC3 (0.59) RAB9ANPC1ALDH1A1BRD4
SCHEMBL6791737 0.75 MTNR1A (0.56) RAB9ANPC1MEN1KMT2ABRD4

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-20120022121-A1 INDOLES, DERIVATIVES AND ANALOGS THEREOF AND USES THEREFOR NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2012-01-26 US disclosed
US-20120022121-A1 INDOLES, DERIVATIVES AND ANALOGS THEREOF AND USES THEREFOR NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2012-01-26 US disclosed
US-20120022121-A1 INDOLES, DERIVATIVES AND ANALOGS THEREOF AND USES THEREFOR NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2012-01-26 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-20120022121-A1 INDOLES, DERIVATIVES AND ANALOGS THEREOF AND USES THEREFOR TUBB, TUBB3, TUBB1 RAB9A 2378/4885NPC1 3214/4885KDM4E 3306/4885

“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.