SCHEMBL4928604

SCHEMBL4928604

CCOc1ccc(-c2cccc(N)c2N)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
TDP1 Q9NUW8 2/20 0.50
TSHR P16473 1/20 0.50
NQO1 P15559 1/20 0.48
TP53 P04637 4/20 0.44
CYP3A4 P08684 1/20 0.44
KDM4E B2RXH2 5/20 0.44
NPC1 O15118 5/20 0.44
RAB9A P51151 4/20 0.44
HSD17B10 Q99714 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 5/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
LTA4H P09960 1/20 0.43
HPGD P15428 3/20 0.43
GAA P10253 2/20 0.43
RECQL P46063 1/20 0.43
LMNA P02545 1/20 0.41
APOBEC3G Q9HC16 1/20 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
SCHEMBL396847 0.86 TDP1 (0.53) MAPTTDP1TSHRNQO1TP53
SCHEMBL3491387 0.80 ABL1 (0.52) MAPTTDP1TSHRTP53CYP3A4
SCHEMBL28508524 0.80 KEAP1 (0.54) KDM4ESMN1; SMN2ALDH1A1LTA4H
SCHEMBL6013603 0.79 NQO1 (0.64) MAPTTDP1TSHRNQO1TP53
SCHEMBL5838057 0.77 MAPT (0.50) MAPTTDP1TSHRNQO1SMN1; SMN2
SCHEMBL9065006 0.76 SMN1; SMN2 (0.50) MAPTTDP1TSHRNQO1TP53
Propane SCHEMBL10492409 0.76 ALDH1A1 (0.58) MAPTTSHRCYP3A4KDM4ENPC1
Propane SCHEMBL9646509 0.76 ALDH1A1 (0.58) MAPTTSHRCYP3A4KDM4ENPC1
SCHEMBL5698011 0.76 LTA4H (0.61) MAPTTDP1TSHRNQO1TP53
SCHEMBL4583516 0.74 CHRNB4 (0.46) MAPTTDP1TSHRNQO1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080021069-A1 Receptor Function Regulating Agent TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 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-20080021069-A1 Receptor Function Regulating Agent GPR119, INSR, GPR65 MAPT 4574/4885TDP1 4558/4885TSHR 240/4885

“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.