SCHEMBL4029533

SCHEMBL4029533

c1ccc(-c2ncoc2-c2ccc3ncccc3c2)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.53
POLB P06746 1/20 0.53
RAB9A P51151 1/20 0.53
DYRK1A Q13627 1/20 0.44
ATR Q13535 1/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 4/20 0.40
TP53 P04637 2/20 0.40
MAPT P10636 2/20 0.40
TSHR P16473 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HSD17B10 Q99714 2/20 0.40
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.40
KLF5 Q13887 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPK14 Q16539 3/20 0.40
TGFBR1 P36897 4/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40

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
SCHEMBL4032644 0.86 TGFBR1 (0.46) NPC1POLBKDM4EALDH1A1MAPT
SCHEMBL4031433 0.86 TGFBR1 (0.54) NPC1POLBRAB9AALDH1A1MAPK14
SCHEMBL4420314 0.79 NPC1 (0.71) NPC1POLBRAB9ADYRK1AATR
SCHEMBL20658700 0.79 NPC1 (0.61) NPC1POLBRAB9ADYRK1AATR
SCHEMBL4034944 0.77 TGFBR1 (0.53) NPC1POLBRAB9AALDH1A1MAPK14
SCHEMBL4035328 0.75 MAPT (0.55) NPC1POLBRAB9ADYRK1AKDM4E
SCHEMBL17945838 0.73 NPC1 (0.61) NPC1POLBRAB9ADYRK1AKDM4E
SCHEMBL4033193 0.72 KDM4E (0.42) NPC1POLBRAB9AATRKDM4E
SCHEMBL5138250 0.72 NPC1 (0.51) NPC1POLBRAB9ADYRK1AATR
SCHEMBL20658678 0.72 ADORA2A (0.65) NPC1POLBRAB9ADYRK1AATR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1542994-B1 NOVEL OXAZOLE COMPOUNDS AS TRANSFORMING GROWTH FACTOR (TGF) INHIBITOR PFIZER PROD INC (US) 2009-04-29 EP claimed
EP-1542994-B1 NOVEL OXAZOLE COMPOUNDS AS TRANSFORMING GROWTH FACTOR (TGF) INHIBITOR PFIZER PROD INC (US) 2009-04-29 EP disclosed
US-7273936-B2 Oxazole and thiazole compounds as transforming growth factor (TGF) inhibitors PFIZER INC. (US) 2007-09-25 US disclosed
EP-1542994-A1 NOVEL TRIAZOLE AND OXAZOLE COMPOUNDS AS TRANSFORMING GROWTH FACTOR (TGF) INHIBITOR Pfizer Products Inc. (US) 2005-06-22 EP disclosed
US-20040110797-A1 Novel oxazole and thiazole compounds as transforming growth factor (TGF) inhibitors PFIZER INC 2004-06-10 US disclosed
WO-2004026863-A1 NOVEL OXAZOLE AND THIAZOLE COMPOUNDS AS TRANSFORMING GROWTH FACTOR (TGF) INHIBITORS PFIZER PRODUCTS INC. (US) 2004-04-01 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-20040110797-A1 Novel oxazole and thiazole compounds as transforming growth factor (TGF) inhibitors TGFBR1, TGFBR2, SMAD3 NPC1 3424/4885POLB 2246/4885RAB9A 4469/4885

“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.