Sugi Predict

Sugi Predict / Compounds / SCHEMBL5464896

SCHEMBL5464896

SCHEMBL5464896

Cc1ccc(N2CCCCC2)c(F)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ MAPT P10636 8/20 0.54
▸ HPGD P15428 4/20 0.54
▸ TSHR P16473 2/20 0.54
▸ RAB9A P51151 3/20 0.51
▸ NPC1 O15118 2/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ MCOLN3 Q8TDD5 1/20 0.47
▸ HTT P42858 2/20 0.47
▸ GAA P10253 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ MITF O75030 1/20 0.45
▸ HSP90AA1 P07900 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ ALDH1A3 P47895 1/20 0.45
▸ THRB P10828 1/20 0.44
▸ NR4A1 P22736 1/20 0.44

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
SCHEMBL13419183 1.00 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2MAPTHPGDTSHR
SCHEMBL12175957 0.98 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2MAPTHPGDTSHR
SCHEMBL13419274 0.84 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2MAPTRAB9ANPC1
SCHEMBL14924477 0.84 L3MBTL3 (0.47) ALDH1A1SMN1; SMN2MAPTHPGDTSHR
SCHEMBL13419303 0.83 HTR1A (0.52) ALDH1A1SMN1; SMN2MAPTGAALMNA
SCHEMBL12082405 0.83 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2MAPTHPGDTSHR
SCHEMBL18377616 0.82 HTR1A (0.49) ALDH1A1SMN1; SMN2MAPTHPGDTSHR
SCHEMBL12993888 0.82 L3MBTL3 (0.49) ALDH1A1SMN1; SMN2MAPTHPGDGAA
SCHEMBL15759168 0.82 L3MBTL3 (0.45) ALDH1A1SMN1; SMN2MAPTHPGDTSHR
SCHEMBL3920957 0.81 HTR3A (0.55) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070099958-A1 Protease inhibitors PROZYMEX A/S (DK) 2007-05-03 — — US claimed
EP-1638925-A1 PROTEASE INHIBITORS Prozymex A/S (DK) 2006-03-29 — — EP claimed
WO-2004110988-A1 PROTEASE INHIBITORS PROZYMEX A/S (DK) 2004-12-23 — — WO claimed
WO-2015112739-A9 COMPOUNDS AND METHOD FOR TREATING PARP1-DEFICIENT CANCERS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2016-10-20 — — WO disclosed
US-20150232455-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2015-08-20 — — US disclosed
WO-2015112739-A1 COMPOUNDS AND METHOD FOR TREATING PARP1-DEFICIENT CANCERS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2015-07-30 — — WO disclosed
US-20150158909-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2015-06-11 — — US disclosed
US-20150126747-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2015-05-07 — — US disclosed
US-20150105548-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2015-04-16 — — US disclosed
US-20150065542-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2015-03-05 — — US disclosed
US-20150031884-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. (US) 2015-01-29 — — US disclosed
US-20140364617-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2014-12-11 — — US disclosed
US-20140343286-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2014-11-20 — — US disclosed
US-7671058-B2 N-(3,4-disubstituted phenyl) salicylamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-03-02 — — US disclosed
US-7671058-B2 N-(3,4-disubstituted phenyl) salicylamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-03-02 — — US disclosed
US-20080227784-A1 N-(3,4-disubstituted phenyl) salicylamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2008-09-18 — — US disclosed
US-20080227784-A1 N-(3,4-disubstituted phenyl) salicylamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2008-09-18 — — US disclosed
US-20070099958-A1 Protease inhibitors PROZYMEX A/S (DK) 2007-05-03 — — US disclosed
EP-1638925-A1 PROTEASE INHIBITORS Prozymex A/S (DK) 2006-03-29 — — EP disclosed
WO-2004110988-A1 PROTEASE INHIBITORS PROZYMEX A/S (DK) 2004-12-23 — — 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 (10 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-20150031884-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS ALDH1A1 1955/4885SMN1; SMN2 3721/4885MAPT 2328/4885
US-20140343286-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS ALDH1A1 1955/4885SMN1; SMN2 3721/4885MAPT 2328/4885
US-20070099958-A1 Protease inhibitors CTSC, DPP7, BACE1 ALDH1A1 3738/4885SMN1; SMN2 187/4885MAPT 685/4885
US-20150105548-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS ALDH1A1 1955/4885SMN1; SMN2 3721/4885MAPT 2328/4885
US-20150232455-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS ALDH1A1 1955/4885SMN1; SMN2 3721/4885MAPT 2328/4885
US-20140364617-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS ALDH1A1 1955/4885SMN1; SMN2 3721/4885MAPT 2328/4885
US-20150126747-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS ALDH1A1 1955/4885SMN1; SMN2 3721/4885MAPT 2328/4885
US-20150065542-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS ALDH1A1 1955/4885SMN1; SMN2 3721/4885MAPT 2328/4885
US-20080227784-A1 N-(3,4-disubstituted phenyl) salicylamide derivatives STAT6, RELA, NFKB2 ALDH1A1 2263/4885SMN1; SMN2 3918/4885MAPT 4713/4885
US-20150158909-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS ALDH1A1 1955/4885SMN1; SMN2 3721/4885MAPT 2328/4885

“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.