SCHEMBL3739629

SCHEMBL3739629

NN1c2ccccc2CC1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 2/20 0.44
GOT1 P17174 1/20 0.44
KYAT1 Q16773 1/20 0.44
KYAT3 Q6YP21 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NOTUM Q6P988 5/20 0.41
HTR2A P28223 5/20 0.39
HTR2C P28335 5/20 0.39
ANPEP P15144 1/20 0.35
HTR2B P41595 4/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
ADRA1A P35348 1/20 0.35
HRH1 P35367 1/20 0.35
KCNH2 Q12809 1/20 0.35
IDO1 P14902 1/20 0.34

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
SCHEMBL9685608 0.80 TSHR (0.41) MEN1KMT2AHTR2CANPEPHTR2B
SCHEMBL30843775 0.77 AADAT (0.46) AADATGOT1KYAT1KYAT3MEN1
SCHEMBL6652555 0.77 AADAT (0.46) AADATGOT1KYAT1KYAT3MEN1
SCHEMBL1673259 0.77 AADAT (0.46) AADATGOT1KYAT1KYAT3MEN1
SCHEMBL12094610 0.75 NOTUM (0.44) AADATGOT1KYAT1KYAT3NOTUM
Bromide SCHEMBL5705627 0.75 AADAT (0.44) AADATGOT1KYAT1KYAT3MEN1
Bromide SCHEMBL30825763 0.75 AADAT (0.44) AADATGOT1KYAT1KYAT3MEN1
SCHEMBL27416099 0.75 AADAT (0.41) AADATGOT1KYAT1KYAT3MEN1
SCHEMBL13070447 0.75 NOTUM (0.53) AADATMEN1KMT2ANOTUMHTR2A
SCHEMBL3213122 0.75 NOTUM (0.53) AADATMEN1KMT2ANOTUMHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200321533-A1 COMPOUNDS FOR ORGANIC LIGHT EMITTING DIODE MATERIALS THE SCRIPPS RESEARCH INSTITUTE 2020-10-08 US disclosed
US-20170244049-A1 ORGANIC LIGHT-EMITTING DIODE MATERIALS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-08-24 US disclosed
US-7825238-B2 Antiviral methods employing double esters of 2′, 3′-dideoxy-3′-fluoroguanosine MEDIVIR AB (SE) 2010-11-02 US disclosed
US-7071173-B2 Antiviral methods employing double esters of 2′, 3′-dideoxy-3′-fluoroguanosine MEDIVIR AB (SE) 2006-07-04 US disclosed
US-20060122383-A1 Antiviral methods employing double esters of 2', 3'-dideoxy-3'-fluoroguanosine MEDIVIR AB (SE) 2006-06-08 US disclosed
EP-1647545-A1 Antiviral protease inhibitors MEDIVIR AB (SE) 2006-04-19 EP disclosed
US-20060058259-A1 ANTIVIRAL METHODS EMPLOYING DOUBLE ESTERS OF 2', 3'-DIDEOXY-3'-FLUOROGUANOSINE MEDIVIR AB (SE) 2006-03-16 US disclosed
US-6974802-B2 Treatment of viral infections using prodrugs of 2′,3-dideoxy,3′-fluoroguanosine MEDIVIR AB (SE) 2005-12-13 US disclosed
EP-1005493-B1 ANTIVIRAL PROTEASE INHIBITORS MEDIVIR AB (SE) 2005-11-02 EP disclosed
EP-1421060-A1 ANTIVIRAL PROTEASE INHIBITORS MEDIVIR AB (SE) 2004-05-26 EP disclosed
US-20030186924-A1 Prodrugs MEDIVIR AB 2003-10-02 US disclosed
WO-2003018537-A1 ANTIVIRAL PROTEASE INHIBITORS MEDIVIR AB (SE) 2003-03-06 WO disclosed
US-6489364-B2 FROM L-MANNONIC-GAMMA-LACTONE INTERMEDIATES; FOR PROPHYLAXIS OF HIV/AIDS HIV MEDIVIR AB (SE) 2002-12-03 US disclosed
US-6458772-B1 Prodrugs MEDIVIR AB (SE) 2002-10-01 US disclosed
US-20010044547-A1 Antiviral protease inhibitors MEDIVIR AB 2001-11-22 US disclosed
US-6291687-B1 USED ASPARTYL PROTEASE INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS (HIV) MEDIVIR AB (SE) 2001-09-18 US disclosed
EP-1005493-A1 ANTIVIRAL PROTEASE INHIBITORS MEDIVIR AB (SE) 2000-06-07 EP disclosed
WO-1998045330-A1 ANTIVIRAL PROTEASE INHIBITORS MEDIVIR AB (SE) 1998-10-15 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 (6 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-20060058259-A1 ANTIVIRAL METHODS EMPLOYING DOUBLE ESTERS OF 2', 3'-DIDEOXY-3'-FLUOROGUANOSINE UNG, HAVCR2, EIF2AK2 AADAT 1096/4885GOT1 38/4885KYAT1 2358/4885
US-20010044547-A1 Antiviral protease inhibitors PEPD, PREP, CTSL AADAT 855/4885GOT1 231/4885KYAT1 1455/4885
US-20030186924-A1 Prodrugs HAVCR2, CYP7A1, IGSF11 AADAT 2974/4885GOT1 20/4885KYAT1 3233/4885
US-20060122383-A1 Antiviral methods employing double esters of 2', 3'-dideoxy-3'-fluoroguanosine UNG, HAVCR2, EIF2AK2 AADAT 1096/4885GOT1 38/4885KYAT1 2358/4885
US-20200321533-A1 COMPOUNDS FOR ORGANIC LIGHT EMITTING DIODE MATERIALS ALDH1A2, DDT, CLTB AADAT 1238/4885GOT1 3067/4885KYAT1 2296/4885
US-20170244049-A1 ORGANIC LIGHT-EMITTING DIODE MATERIALS CYBA, DDT, DRD1 AADAT 351/4885GOT1 2039/4885KYAT1 1338/4885

“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.