SCHEMBL4444016

SCHEMBL4444016

Cc1cc(Cl)c(O)c(CO)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.44
NPC1 O15118 2/20 0.39
RAB9A P51151 1/20 0.39
HSPA5 P11021 2/20 0.38
AMY1A P0DUB6 1/20 0.38
CYP2C9 P11712 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HIF1A Q16665 2/20 0.37
HSD17B10 Q99714 4/20 0.37
TSHR P16473 3/20 0.37
CYP3A4 P08684 2/20 0.37
RECQL P46063 2/20 0.37
ALDH1A1 P00352 2/20 0.37
TTR P02766 1/20 0.37
SELL P14151 1/20 0.37
SELP P16109 1/20 0.37
SELE P16581 1/20 0.37
KDM4E B2RXH2 2/20 0.36

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
SCHEMBL69852 0.84 HSPA5 (0.53) NPC1RAB9AHSPA5AMY1ACYP2C9
SCHEMBL187792 0.84 SHBG (0.52) SHBGHSPA5AMY1ACYP2C9CYP2C19
SCHEMBL14430758 0.81 NPC1 (0.38) NPC1RAB9AHSPA5AMY1ACYP2C9
SCHEMBL16077899 0.81 NPC1 (0.38) NPC1RAB9AHSPA5AMY1ACYP2C9
SCHEMBL14534585 0.81 THRB (0.38) NPC1RAB9AHSPA5AMY1ACYP2C9
SCHEMBL27679370 0.79 ALOX5 (0.40) NPC1RAB9AHSPA5AMY1ACYP2C9
SCHEMBL64932 0.78 ALDH1A1 (0.58) NPC1RAB9ACYP2C9CYP1A2CYP2C19
SCHEMBL1907836 0.77 HSD17B10 (0.59) CYP2C9CYP1A2CYP2C19SMN1; SMN2HIF1A
SCHEMBL29577605 0.77 HSD17B10 (0.59) CYP2C9CYP1A2CYP2C19SMN1; SMN2HIF1A
SCHEMBL29776750 0.77 HSD17B10 (0.46) SHBGNPC1HSPA5CYP2C9CYP1A2

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-20090221568-A1 Synthesis of Inhibitors of FtsZ NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-09-03 US disclosed
EP-1957474-A1 SYNTHESIS OF INHIBITORS OF FTSZ PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2008-08-20 EP disclosed
WO-2007056188-A1 SYNTHESIS OF INHIBITORS OF FTSZ PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2007-05-18 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-20090221568-A1 Synthesis of Inhibitors of FtsZ CDC42, CCNB1, CDC20 SHBG 2707/4885NPC1 1207/4885RAB9A 898/4885

“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.