SCHEMBL423218

SCHEMBL423218

COc1cc(C(=O)c2nc3ccccc3[nH]2)cc(OC)c1OC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.65
MEN1 O00255 1/20 0.64
KMT2A Q03164 1/20 0.64
SMN1; SMN2 Q16637 2/20 0.63
MAPT P10636 2/20 0.63
KDM4E B2RXH2 1/20 0.63
ALDH1A1 P00352 1/20 0.63
HTT P42858 1/20 0.63
TUBB4A P04350 9/20 0.55
TUBB P07437 9/20 0.55
TUBA3C P0DPH7 9/20 0.55
TUBA1B P68363 9/20 0.55
TUBA4A P68366 9/20 0.55
TUBB4B P68371 9/20 0.55
TUBB3 Q13509 9/20 0.55
TUBB2A Q13885 9/20 0.55
TUBB8 Q3ZCM7 9/20 0.55
TUBA3E Q6PEY2 9/20 0.55
TUBA1A Q71U36 9/20 0.55
TUBA1C Q9BQE3 9/20 0.55

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
SCHEMBL9187217 0.89 NPC1 (0.58) USP2MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL10151387 0.79 SMN1; SMN2 (0.65) MEN1KMT2ASMN1; SMN2MAPTKDM4E
SCHEMBL7199487 0.78 CCND3 (0.69) MAPTHTTPDE10ANPC1RAB9A
SCHEMBL3966827 0.77 CCND3 (0.67) MEN1KMT2ASMN1; SMN2MAPTKDM4E
SCHEMBL250171 0.76 CCND3 (0.70) MEN1KMT2ASMN1; SMN2MAPTKDM4E
SCHEMBL15135554 0.76 TUBB4A (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL15135615 0.76 TUBB4A (0.61) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL426783 0.76 PDGFRB (0.74) USP2MEN1KMT2ASMN1; SMN2TUBB4A
SCHEMBL29033613 0.75 TUBB1 (0.43) USP2ALDH1A1TUBB4ATUBBTUBA3C
SCHEMBL24222544 0.75 TUBB4A (0.57) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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 USP2 3849/4885MEN1 1042/4885KMT2A 3095/4885

“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.