SCHEMBL13699058

SCHEMBL13699058

CCOC/C=C/c1ccc2nc(N)sc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.53
HSD17B10 Q99714 3/20 0.53
TP53 P04637 3/20 0.53
ALDH1A1 P00352 2/20 0.53
TSHR P16473 1/20 0.53
RAB9A P51151 5/20 0.50
NPC1 O15118 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 1/20 0.47
MAPT P10636 2/20 0.47
PIK3CA P42336 3/20 0.46
PI4KA P42356 3/20 0.46
PI4KB Q9UBF8 3/20 0.46
PIK3CD O00329 2/20 0.46
PIK3CB P42338 2/20 0.46
PIK3CG P48736 2/20 0.46
SCN4A P35499 3/20 0.43
LMNA P02545 2/20 0.43
PKM P14618 2/20 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
SCHEMBL27522839 0.75 RAB9A (0.62) CYP3A4HSD17B10TP53ALDH1A1TSHR
SCHEMBL13539413 0.75 RAB9A (0.68) CYP3A4HSD17B10TP53ALDH1A1TSHR
SCHEMBL1855355 0.74 CYP3A4 (0.70) CYP3A4HSD17B10TP53ALDH1A1TSHR
SCHEMBL1855358 0.74 CYP3A4 (0.70) CYP3A4HSD17B10TP53ALDH1A1TSHR
SCHEMBL5440532 0.73 RAB9A (0.49) CYP3A4HSD17B10TP53ALDH1A1TSHR
SCHEMBL5440540 0.73 RAB9A (0.49) CYP3A4HSD17B10TP53ALDH1A1TSHR
SCHEMBL13236087 0.71 INSR (0.64) CYP3A4HSD17B10ALDH1A1RAB9ANPC1
SCHEMBL2275595 0.70 RAB9A (0.56) CYP3A4HSD17B10TP53ALDH1A1TSHR
SCHEMBL233589 0.70 CYP3A4 (1.00) CYP3A4HSD17B10TP53ALDH1A1TSHR
SCHEMBL7284812 0.69 DRD2 (0.53) ALDH1A1MAPTLMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7589067-B2 6, 11-bridged tricyclic macrolides ENANTA PHARMACEUTICALS, INC. (US) 2009-09-15 US disclosed
US-7589067-B2 6, 11-bridged tricyclic macrolides ENANTA PHARMACEUTICALS, INC. (US) 2009-09-15 US disclosed
WO-2008019240-A2 3, 6-BRIDGED TYLOSIN DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2008-02-14 WO disclosed
US-20080039406-A1 3,6-BRIDGED TYLOSIN DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2008-02-14 US disclosed
US-20080039406-A1 3,6-BRIDGED TYLOSIN DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2008-02-14 US disclosed
WO-2007044927-A2 6, 11-BRIDGED TRICYCLIC MACROLIDES ENANTA PHARMACEUTICALS, INC. (US) 2007-04-19 WO disclosed
US-20070082853-A1 6, 11-bridged tricyclic macrolides ENANTA PHARMACEUTICAL, INC. 2007-04-12 US disclosed
US-20070082853-A1 6, 11-bridged tricyclic macrolides ENANTA PHARMACEUTICAL, INC. 2007-04-12 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 (2 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-20070082853-A1 6, 11-bridged tricyclic macrolides CYP2B6, CYP2D6, ABCB11 CYP3A4 14/4885HSD17B10 137/4885TP53 4528/4885
US-20080039406-A1 3,6-BRIDGED TYLOSIN DERIVATIVES ABCB11, ABCB1, CYP2B6 CYP3A4 54/4885HSD17B10 303/4885TP53 4803/4885

“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.