SCHEMBL3603955

SCHEMBL3603955

CCOC(=O)c1ccc(-c2cc(-c3nnnn3C)c(-c3ccc(C(=O)OCC)cc3)s2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.44
ALDH1A1 P00352 4/20 0.44
HSD17B10 Q99714 4/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
KDM4E B2RXH2 4/20 0.44
NPSR1 Q6W5P4 3/20 0.44
POLB P06746 3/20 0.44
HPGD P15428 2/20 0.44
STK17B O94768 1/20 0.42
PRF1 P14222 1/20 0.42
TP53 P04637 3/20 0.40
NPC1 O15118 5/20 0.40
RAB9A P51151 5/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
LMNA P02545 3/20 0.40
MAPK14 Q16539 1/20 0.40
GAA P10253 1/20 0.40
ALOX15 P16050 1/20 0.40
RARA P10276 1/20 0.39

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
SCHEMBL3601375 0.89 MAPT (0.46) MAPTALDH1A1HSD17B10MEN1KMT2A
SCHEMBL3592991 0.85 NPSR1 (0.40) MAPTALDH1A1HSD17B10MEN1KMT2A
SCHEMBL3605751 0.83 SMN1; SMN2 (0.43) MAPTALDH1A1HSD17B10MEN1KMT2A
SCHEMBL3599918 0.78 MAPK14 (0.40) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL3608422 0.76 NPSR1 (0.43) MAPTALDH1A1HSD17B10MEN1KMT2A
SCHEMBL3597343 0.72 HSD17B1 (0.59) MAPTCYP2C9CYP2C19ESR1ESR2
SCHEMBL3610616 0.70 NPSR1 (0.48) MAPTALDH1A1HSD17B10MEN1KMT2A
SCHEMBL3596170 0.70 IKBKB (0.55) MAPTALDH1A1HSD17B10MEN1KMT2A
SCHEMBL25078584 0.69 MAPT (0.43) MAPTALDH1A1HSD17B10MEN1KMT2A
SCHEMBL3601237 0.69 LMNA (0.45) MAPTALDH1A1HSD17B10MEN1KMT2A

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-8835476-B2 Synthesis of novel antimicrobials WU FAN (CA) 2014-09-16 US disclosed
US-20100076028-A1 Design and Synthesis of Novel Antimicrobials WU FAN 2010-03-25 US disclosed
WO-2006092059-A1 DESIGN AND SYNTHESIS OF NOVEL ANTIMICROBIALS WU FAN (CA) 2006-09-08 WO 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-20100076028-A1 Design and Synthesis of Novel Antimicrobials MLX, LPXN, TPX2 MAPT 4883/4885ALDH1A1 4295/4885HSD17B10 2728/4885

“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.