Trovirdine

Trovirdine

SCHEMBL636095

S=C(NCCc1ccccn1)Nc1ccc(Br)cn1

nearest known ligand 0.71

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.71
LTC4S Q16873 1/20 0.62
KDM4E B2RXH2 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
HTT P42858 1/20 0.57
MAPT P10636 3/20 0.56
NPSR1 Q6W5P4 2/20 0.56
ALOX12 P18054 1/20 0.55
RAB9A P51151 1/20 0.55
LMNA P02545 2/20 0.54
KMT2A Q03164 1/20 0.54
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52

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
Trovirdine SCHEMBL2231102 0.99 ALDH1A1 (0.70) ALDH1A1LTC4SKDM4ESMN1; SMN2HTT
SCHEMBL6951326 0.85 ALDH1A1 (0.74) ALDH1A1KDM4ESMN1; SMN2HTTMAPT
SCHEMBL29355043 0.83 ALDH1A1 (1.00) ALDH1A1LTC4SKDM4ESMN1; SMN2MAPT
SCHEMBL7624466 0.83 ALDH1A1 (1.00) ALDH1A1LTC4SKDM4ESMN1; SMN2MAPT
SCHEMBL30255323 0.82 ALDH1A1 (0.60) ALDH1A1KDM4ESMN1; SMN2HTTMAPT
SCHEMBL7224530 0.80 LTC4S (0.87) ALDH1A1LTC4SKDM4ESMN1; SMN2MAPT
SCHEMBL6965655 0.80 ALDH1A1 (0.71) ALDH1A1LTC4SSMN1; SMN2HTTMAPT
SCHEMBL7078039 0.80 ALDH1A1 (0.72) ALDH1A1KDM4ESMN1; SMN2MAPTNPSR1
SCHEMBL5390696 0.79 ALDH1A1 (0.70) ALDH1A1LTC4SKDM4ESMN1; SMN2MAPT
SCHEMBL6902515 0.79 ALDH1A1 (0.62) ALDH1A1LTC4SSMN1; SMN2MAPTALOX12

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 946 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210008104-A1 COMPOSITIONS AND METHODS FOR INHIBITING HIV-1 REVERSE TRANSCRIPTASE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2021-01-14 US claimed
EP-3664811-A2 COMPOSITIONS AND METHODS FOR INHIBITING HIV-1 REVERSE TRANSCRIPTASE The U.S.A. as represented by the Secretary, Department of Health and Human Services (US) 2020-06-17 EP claimed
CN-105164143-B Cholesterol vesicles for introducing molecules into chylomicrons 杰罗米.J.申塔格 2019-02-19 CN claimed
WO-2019032749-A2 COMPOSITIONS AND METHODS FOR INHIBITING HIV-1 REVERSE TRANSCRIPTASE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH & HUMAN SERVICES (US) 2019-02-14 WO claimed
US-9487476-B2 Catechol diethers as potent anti-HIV agents YALE UNIVERSITY (US) 2016-11-08 US claimed
EP-2970369-A2 CHOLESTOSOME VESICLES FOR INCORPORATION OF MOLECULES INTO CHYLOMICRONS Schentag, Jerome, J. (US) 2016-01-20 EP claimed
CN-105164143-A Cholesterol vesicles for introducing molecules into chylomicrons SCHENTAG JEROME J 2015-12-16 CN claimed
US-9016221-B2 Surface topographies for non-toxic bioadhesion control UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2015-04-28 US claimed
US-20150105351-A1 COMPOUNDS AND METHODS FOR TREATING HIV INFECTIONS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-04-16 US claimed
EP-2846788-A1 USE OF COMPOUNDS FOR THE TREATMENT OF PAIN Akron Molecules AG (AT) 2015-03-18 EP claimed
EP-0973753-A2 4,4-DISUBSTITUTED-3,4-DIHYDRO-2(1H)-QUINAZOLINONES USEFUL AS HIV REVERSE TRANSCRIPTASE INHIBITORS Du Pont Pharmaceuticals Company (US) 2000-01-26 EP claimed
WO-2000000475-A1 SUBSTITUTED QUINOLIN-2(1H)-ONES USEFUL AS HIV REVERSE TRANSCRIPTASE INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 2000-01-06 WO claimed
WO-2000000479-A1 1,3-BENZODIAZEPIN-2-ONES AND 1,3-BENZOXAZEPIN-2-ONES USEFUL AS HIV REVERSE TRANSCRIPTASE INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 2000-01-06 WO claimed
WO-1999036406-A1 ANTIVIRALS MEDIVIR AB (SE) 1999-07-22 WO claimed
CN-1208405-A Retroviral protease inhibiting compounds ABBOTT LAB (US) 1999-02-17 CN claimed
EP-0882024-A1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS Abbott Laboratories (US) 1998-12-09 EP claimed
EP-0876353-A1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS Abbott Laboratories (US) 1998-11-11 EP claimed
WO-1998045276-A2 4,4-DISUBSTITUTED-3,4-DIHYDRO-2(1H)-QUINAZOLINONES USEFUL AS HIV REVERSE TRANSCRIPTASE INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 1998-10-15 WO claimed
WO-1997021685-A1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1997-06-19 WO claimed
WO-1997021683-A1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1997-06-19 WO claimed

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-20150105351-A1 COMPOUNDS AND METHODS FOR TREATING HIV INFECTIONS POLM, POLRMT, DHFR ALDH1A1 1200/4885LTC4S 522/4885KDM4E 2839/4885

“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.