SCHEMBL4229962

SCHEMBL4229962

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TERT O14746 2/20 0.63
▸ ALOX5 P09917 1/20 0.63
▸ CA1 P00915 3/20 0.55
▸ CA9 Q16790 2/20 0.55
▸ L1CAM P32004 1/20 0.52
▸ NPC1 O15118 6/20 0.50
▸ RAB9A P51151 5/20 0.50
▸ KDM4E B2RXH2 5/20 0.50
▸ HTT P42858 3/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ LMNA P02545 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ POLB P06746 1/20 0.48
▸ MPO P05164 1/20 0.48
▸ GAA P10253 1/20 0.48

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
SCHEMBL4218154 0.94 CA1 (0.65) TERTALOX5CA1CA9L1CAM
SCHEMBL9674654 0.92 TERT (0.56) TERTALOX5CA1CA9L1CAM
SCHEMBL723254 0.84 TERT (0.61) TERTALOX5CA1CA9KDM4E
SCHEMBL32018464 0.84 TERT (0.61) TERTALOX5CA1CA9KDM4E
SCHEMBL1436240 0.84 GAA (0.69) TERTALOX5CA1NPC1KDM4E
SCHEMBL4235075 0.84 LMNA (0.61) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL4230145 0.84 KMT2A (0.63) TERTNPC1RAB9AKDM4EALDH1A1
SCHEMBL4223765 0.83 TLR7 (0.60) TERTALOX5CA1CA9L1CAM
SCHEMBL23117963 0.83 ALOX5 (0.59) TERTALOX5CA1CA9NPC1
SCHEMBL8983169 0.83 ALOX5 (0.59) TERTALOX5CA1CA9NPC1

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 TERT 1005/4885ALOX5 1132/4885CA1 149/4885

“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.

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