SCHEMBL1680784

SCHEMBL1680784

CCOc1ccc(C(=O)O)c(N)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
GABRP O00591 4/20 0.46
GABRD O14764 4/20 0.46
GABRA1 P14867 4/20 0.46
GABRB1 P18505 4/20 0.46
GABRG2 P18507 4/20 0.46
GABRB3 P28472 4/20 0.46
GABRA5 P31644 4/20 0.46
GABRA3 P34903 4/20 0.46
GABRA2 P47869 4/20 0.46
GABRB2 P47870 4/20 0.46
GABRA4 P48169 4/20 0.46
GABRE P78334 4/20 0.46
GABRA6 Q16445 4/20 0.46
GABRG1 Q8N1C3 4/20 0.46
GABRG3 Q99928 4/20 0.46
GABRQ Q9UN88 4/20 0.46
POLB P06746 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NAPRT Q6XQN6 1/20 0.43

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
SCHEMBL12736555 0.84 TDP1 (0.43) MAPTTDP1ALDH1A1SMN1; SMN2NPC1
SCHEMBL1680324 0.82 NAPRT (0.42) MAPTGABRPGABRDGABRA1GABRB1
SCHEMBL1312979 0.81 POLB (0.57) MAPTGABRPGABRDGABRA1GABRB1
SCHEMBL30940155 0.81 TDP1 (0.66) MAPTGABRPGABRDGABRA1GABRB1
SCHEMBL21339634 0.81 TDP1 (0.66) MAPTGABRPGABRDGABRA1GABRB1
SCHEMBL4299384 0.80 MAPT (0.50) MAPTGABRPGABRDGABRA1GABRB1
SCHEMBL24892184 0.80 NAPRT (0.40) MAPTGABRPGABRDGABRA1GABRB1
SCHEMBL21805908 0.80 FOLH1 (0.50) NAPRTALDH1A1
SCHEMBL30183367 0.80 NAPRT (0.40) MAPTGABRPGABRDGABRA1GABRB1
Hydrochloric Acid SCHEMBL20552328 0.79 TDP1 (0.64) MAPTGABRPGABRDGABRA1GABRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3619205-B1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK NO 5 LTD (GB) 2022-04-06 EP disclosed
US-10954252-B1 Inhibitors of human immunodeficiency virus replication VIIV Healthcare UK (No.5) Limited (GB) 2021-03-23 US disclosed
US-10954252-B1 Inhibitors of human immunodeficiency virus replication VIIV Healthcare UK (No.5) Limited (GB) 2021-03-23 US disclosed
EP-3619205-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2020-03-11 EP disclosed
WO-2018203235-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2018-11-08 WO disclosed
US-20110195999-A1 NOVEL ANTIFUNGAL AGENT CONTAINING HETEROCYCLIC COMPOUND NAKAMOTO KAZUTAKA 2011-08-11 US disclosed
US-20110195999-A1 NOVEL ANTIFUNGAL AGENT CONTAINING HETEROCYCLIC COMPOUND NAKAMOTO KAZUTAKA 2011-08-11 US disclosed
US-20110195999-A1 NOVEL ANTIFUNGAL AGENT CONTAINING HETEROCYCLIC COMPOUND NAKAMOTO KAZUTAKA 2011-08-11 US disclosed
US-7932272-B2 Antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-04-26 US disclosed
US-7932272-B2 Antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-04-26 US disclosed
US-7932272-B2 Antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-04-26 US disclosed
US-20090227799-A1 Novel Antimalarial Agent Containing Heterocyclic Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-09-10 US disclosed
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-10 US disclosed
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-10 US disclosed
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-10 US disclosed
EP-1782811-A1 NOVEL ANTIMALARIA AGENT CONTAINING HETEROCYCLIC COMPOUND Eisai R&D Management Co., Ltd. (JP) 2007-05-09 EP disclosed
EP-1669348-A1 NOVEL ANTIFUNGAL AGENT COMPRISING HETEROCYCLIC COMPOUND Eisai Co., Ltd. (JP) 2006-06-14 EP 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 (4 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-20110195999-A1 NOVEL ANTIFUNGAL AGENT CONTAINING HETEROCYCLIC COMPOUND ERG28, CYP51A1, XPO1 MAPT 4076/4885GABRP 2017/4885GABRD 3749/4885
US-20090227799-A1 Novel Antimalarial Agent Containing Heterocyclic Compound XPO1, THPO, G6PD MAPT 4227/4885GABRP 4320/4885GABRD 4831/4885
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound ERG28, DPM1, CYP51A1 MAPT 4111/4885GABRP 2375/4885GABRD 3990/4885
US-10954252-B1 Inhibitors of human immunodeficiency virus replication EIF2AK2, REV1, POLR2E MAPT 1659/4885GABRP 3394/4885GABRD 4261/4885

“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.