SCHEMBL4218154

SCHEMBL4218154

O=C(NNC(=O)c1cccc(O)c1O)c1ccccc1O

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.65
CA9 Q16790 5/20 0.65
L1CAM P32004 1/20 0.61
NPC1 O15118 5/20 0.59
RAB9A P51151 4/20 0.59
KDM4E B2RXH2 3/20 0.59
ALDH1A1 P00352 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
HTT P42858 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
MPO P05164 1/20 0.59
GAA P10253 1/20 0.59
HIF1A Q16665 1/20 0.59
ALOX5 P09917 1/20 0.58
TERT O14746 1/20 0.58
LMNA P02545 1/20 0.55
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54

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
SCHEMBL4229962 0.94 TERT (0.63) CA1CA9L1CAMNPC1RAB9A
SCHEMBL77381 0.89 CA1 (0.77) CA1CA9L1CAMNPC1RAB9A
SCHEMBL9674654 0.86 TERT (0.56) CA1CA9L1CAMNPC1RAB9A
SCHEMBL4230145 0.83 KMT2A (0.63) NPC1RAB9AKDM4EALDH1A1GAA
SCHEMBL6636585 0.82 CA1 (0.79) CA1CA9L1CAMNPC1RAB9A
SCHEMBL4542670 0.80 KDM4E (0.54) NPC1RAB9AKDM4EALDH1A1HTT
SCHEMBL23978398 0.80 KDM4E (0.65) CA1CA9L1CAMNPC1RAB9A
SCHEMBL6638020 0.80 NPC1 (0.74) CA1CA9L1CAMNPC1RAB9A
SCHEMBL1169719 0.80 CA1 (0.65) CA1CA9L1CAMNPC1RAB9A
SCHEMBL29851354 0.80 CA1 (0.65) CA1CA9L1CAMNPC1RAB9A

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
WO-2009026248-A2 HYDRAZIDE, AMIDE, PHTHALIMIDE AND PHTHALHYDRAZIDE ANALOGS AS INHIBITORS OF RETROVIRAL INTEGRASE THE GOVERNMENT OF THE UNITED STATES, AS REPRESENTED BY THE SECRETARY OF HEALTH AND HUMAN SERVICES, NATIONAL INSTITUTES OF HEALTH, OFFICE OF TECHNOLOGY TRANSFER (US) 2009-02-26 WO claimed
US-20140243348-A1 COMPOSITIONS AND METHODS FOR TREATING HERPES VIRUSES PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-08-28 US disclosed
US-20140243348-A1 COMPOSITIONS AND METHODS FOR TREATING HERPES VIRUSES PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-08-28 US disclosed
WO-2013028297-A1 COMPOSITIONS AND METHODS FOR TREATING HERPES VIRUSES PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-02-28 WO disclosed
WO-2009026248-A2 HYDRAZIDE, AMIDE, PHTHALIMIDE AND PHTHALHYDRAZIDE ANALOGS AS INHIBITORS OF RETROVIRAL INTEGRASE THE GOVERNMENT OF THE UNITED STATES, AS REPRESENTED BY THE SECRETARY OF HEALTH AND HUMAN SERVICES, NATIONAL INSTITUTES OF HEALTH, OFFICE OF TECHNOLOGY TRANSFER (US) 2009-02-26 WO disclosed
WO-2009026248-A2 HYDRAZIDE, AMIDE, PHTHALIMIDE AND PHTHALHYDRAZIDE ANALOGS AS INHIBITORS OF RETROVIRAL INTEGRASE THE GOVERNMENT OF THE UNITED STATES, AS REPRESENTED BY THE SECRETARY OF HEALTH AND HUMAN SERVICES, NATIONAL INSTITUTES OF HEALTH, OFFICE OF TECHNOLOGY TRANSFER (US) 2009-02-26 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-20140243348-A1 COMPOSITIONS AND METHODS FOR TREATING HERPES VIRUSES EBNA1BP2, RPL17, TK2 CA1 149/4885CA9 516/4885L1CAM 4116/4885

“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.