SCHEMBL6122076

SCHEMBL6122076

O=C1CCCc2cc3c(cc21)OCc1cc(Cl)ccc1-3

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 8/20 0.44
▸ MAOA P21397 6/20 0.44
▸ PRKCI P41743 1/20 0.44
▸ MEN1 O00255 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ SRD5A1 P18405 2/20 0.38
▸ SRD5A2 P31213 1/20 0.38
▸ CYP2A6 P11509 1/20 0.38
▸ MAPK14 Q16539 1/20 0.38
▸ HSD17B1 P14061 1/20 0.38
▸ MAPT P10636 1/20 0.36
▸ GRM5 P41594 1/20 0.36
▸ HTR2B P41595 1/20 0.36
▸ BAZ2B Q9UIF8 1/20 0.35
▸ NOTUM Q6P988 1/20 0.34
▸ METAP1 P53582 1/20 0.34
▸ HTT P42858 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
SCHEMBL18884215 0.90 MAOB (0.45) MAOBMAOAPRKCIMEN1MAPK1
SCHEMBL17011806 0.84 MAOA (0.56) MAOBMAOAPRKCIMEN1MAPK1
SCHEMBL17332146 0.84 MAOB (0.42) MAOBMAOAPRKCIMEN1MAPK1
SCHEMBL17332134 0.84 MAOA (0.42) MAOBMAOAPRKCIMEN1MAPK1
SCHEMBL17332108 0.81 MAOA (0.40) MAOBMAOAPRKCIMEN1MAPK1
SCHEMBL17332094 0.81 GRM5 (0.45) MAOBMAOAPRKCIMEN1MAPK1
SCHEMBL19548369 0.81 MAOB (0.46) MAOBMAOAPRKCIMEN1MAPK1
SCHEMBL6121863 0.81 MAOA (0.38) MAOBMAOAPRKCIMEN1MAPK1
SCHEMBL19557218 0.81 MAOA (0.40) MAOBMAOAPRKCIMEN1MAPK1
SCHEMBL17332122 0.81 SRD5A2 (0.49) MAOBMAOAPRKCIMEN1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3452038-B1 PROCESS FOR THE PREPARATION OF INTERMEDIATES USEFUL IN THE PREPARATION OF HEPATITIS C VIRUS (HCV) INHIBITORS LAURUS LABS LTD (IN) 2022-07-06 — — EP disclosed
US-11192875-B2 Processes for preparing antiviral compounds GILEAD PHARMASSET LLC (US) 2021-12-07 — — US disclosed
US-11192875-B2 Processes for preparing antiviral compounds GILEAD PHARMASSET LLC (US) 2021-12-07 — — US disclosed
US-20210139493-A1 PREPARATION OF VELPATASVIR AND DERIVATIVE THEREOF SHANGHAI FOREFRONT PHARMACEUTICAL CO LTD (CN) 2021-05-13 — — US disclosed
US-20210053981-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2021-02-25 — — US disclosed
US-20210053981-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2021-02-25 — — US disclosed
EP-3778606-A2 CONDENSED IMIDAZOLYLIMIDAZOLES AS ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2021-02-17 — — EP disclosed
EP-3778606-A2 CONDENSED IMIDAZOLYLIMIDAZOLES AS ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2021-02-17 — — EP disclosed
US-20200392100-A1 PROCESSES FOR PREPARING ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2020-12-17 — — US disclosed
US-20200392100-A1 PROCESSES FOR PREPARING ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2020-12-17 — — US disclosed
US-20130164260-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-06-27 — — US disclosed
US-20130164260-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-06-27 — — US disclosed
US-20130164260-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-06-27 — — US disclosed
US-20130156732-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-06-20 — — US disclosed
US-20130156732-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-06-20 — — US disclosed
US-20130156732-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-06-20 — — US disclosed
WO-2013075029-A1 CONDENSED IMIDAZOLYLIMIDAZOLES AS ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-05-23 — — WO disclosed
WO-2013075029-A1 CONDENSED IMIDAZOLYLIMIDAZOLES AS ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-05-23 — — WO disclosed
WO-2012068234-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-05-24 — — WO disclosed
WO-2012068234-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-05-24 — — 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-11192875-B2 Processes for preparing antiviral compounds MAVS, EIF2AK2, SAMHD1 MAOB 1117/4885MAOA 1588/4885PRKCI 2187/4885
US-20130156732-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 MAOB 3123/4885MAOA 3181/4885PRKCI 1749/4885
US-20210139493-A1 PREPARATION OF VELPATASVIR AND DERIVATIVE THEREOF SAMHD1, TYMP, PNP MAOB 2848/4885MAOA 3059/4885PRKCI 1321/4885
US-20130164260-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 MAOB 3123/4885MAOA 3181/4885PRKCI 1749/4885
US-20200392100-A1 PROCESSES FOR PREPARING ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SAMHD1 MAOB 1117/4885MAOA 1588/4885PRKCI 2187/4885
US-20210053981-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 MAOB 3123/4885MAOA 3181/4885PRKCI 1749/4885

“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.

Send feedback