SCHEMBL4038205

SCHEMBL4038205

COC(=O)c1ccc(C(C)(N)c2nc(-c3ccccc3)cs2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.53
ALDH1A1 P00352 4/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
ADORA3 P0DMS8 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
ALDH1A3 P47895 1/20 0.45
SCD O00767 1/20 0.44
HPGD P15428 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
GLA P06280 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
KDM4E B2RXH2 2/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
USP2 O75604 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
SCHEMBL19625453 0.81 MEN1 (0.53) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL4034139 0.79 SREBF2 (0.44) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL27432174 0.77 TSHR (0.60) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL22121903 0.77 MEN1 (0.55) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL4029432 0.76 APP (0.48) ALDH1A1ADORA3SMN1; SMN2NPC1RAB9A
SCHEMBL4038358 0.74 PPARD (0.47)
SCHEMBL7217201 0.74 KDM4E (0.56) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL1820851 0.74 CSNK2A1 (0.76) MAPTALDH1A1MEN1KMT2AADORA3
SCHEMBL5350275 0.74 RAB9A (0.68) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL1553078 0.74 ALDH1A1 (0.67) MAPTALDH1A1MEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1357115-B1 ALKANOIC ACID DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2009-06-17 EP disclosed
US-7238716-B2 Alkanoic acid derivatives process for their production and use thereof TAKEDA PHARMACEUTICALS COMPANY LIMITED (JP) 2007-07-03 US disclosed
US-20040058965-A1 Alkanoic acid derivatives process for their production and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-25 US disclosed
EP-1357115-A1 ALKANOIC ACID DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-10-29 EP 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-20040058965-A1 Alkanoic acid derivatives process for their production and use thereof GPR119, ACOX1, ALK MAPT 4719/4885ALDH1A1 176/4885MEN1 3721/4885

“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.