SCHEMBL1477849

SCHEMBL1477849

O=C1CCCc2c(F)ccc(F)c21

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
BRD4 O60885 11/20 0.39
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PARP1 P09874 1/20 0.35
KDM4E B2RXH2 2/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
CYP2A6 P11509 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
BUB1 O43683 1/20 0.33

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
SCHEMBL29525031 1.00 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2BRD4MAPTNPSR1
SCHEMBL8237233 0.96 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2BRD4MAPTNPSR1
SCHEMBL29605666 0.86 KDM4E (0.41) ALDH1A1KDM4EGAA
SCHEMBL783668 0.86 KDM4E (0.41) ALDH1A1KDM4EGAA
SCHEMBL23027524 0.84 BRD4 (0.40) ALDH1A1SMN1; SMN2BRD4MAPTNPSR1
SCHEMBL6686475 0.84 BRD4 (0.42) ALDH1A1SMN1; SMN2BRD4MAPTMEN1
SCHEMBL7101996 0.84 BRD4 (0.40) ALDH1A1SMN1; SMN2BRD4MAPTNPSR1
SCHEMBL24542960 0.84 BRD4 (0.42) ALDH1A1SMN1; SMN2BRD4MAPTMEN1
SCHEMBL19584901 0.84 KDM4E (0.38) ALDH1A1SMN1; SMN2BRD4MAPTHSD17B10
SCHEMBL14430372 0.80 KDM4E (0.59) ALDH1A1BRD4MAPTNPSR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3983385-B1 NAPHTHOQUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISORDERS PTC THERAPEUTICS INC (US) 2023-08-30 EP disclosed
EP-3983385-B1 NAPHTHOQUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISORDERS PTC THERAPEUTICS INC (US) 2023-08-30 EP disclosed
US-20230002324-A1 NAPHTHOQUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISORDERS PTC THERAPEUTICS, INC. 2023-01-05 US disclosed
US-20230002324-A1 NAPHTHOQUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISORDERS PTC THERAPEUTICS, INC. 2023-01-05 US disclosed
EP-3983385-A1 NAPHTHOQUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISORDERS PTC Therapeutics, Inc. (US) 2022-04-20 EP disclosed
WO-2020252414-A1 NAPHTHOQUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISORDERS PTC THERAPEUTICS, INC. (US) 2020-12-17 WO disclosed
WO-2020252414-A1 NAPHTHOQUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISORDERS PTC THERAPEUTICS, INC. (US) 2020-12-17 WO disclosed
US-8569521-B2 Benzenesulfonyl-chromane, thiochromane, tetrahydronaphthalene and related gamma secretase inhibitors MERCK SHARP & DOHME CORP. (US) 2013-10-29 US disclosed
US-8569521-B2 Benzenesulfonyl-chromane, thiochromane, tetrahydronaphthalene and related gamma secretase inhibitors MERCK SHARP & DOHME CORP. (US) 2013-10-29 US disclosed
EP-1976843-B1 CARBOCYCLIC AND HETEROCYCLIC ARYLSULFONES AS GAMMA SECRETASE INHIBITORS MERCK SHARP & DOHME (US) 2013-09-04 EP disclosed
WO-2007084595-A2 CARBOCYCLIC AND HETEROCYCLIC ARYLSULFONES AS GAMMA SECRETASE INHIBITORS SCHERING CORPORATION (US) 2007-07-26 WO disclosed
EP-1701942-A1 NON-NUCLEOTIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2006-09-20 EP disclosed
US-20060167055-A1 Non-nucleoside reverse transcriptase inhibitors MEDIVIR AB (SE) 2006-07-27 US disclosed
WO-2005066131-A1 NON-NUCLEOTIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2005-07-21 WO disclosed
EP-1534276-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2005-06-01 EP disclosed
EP-1423368-A1 UREA AND THIOUREA DERIVATIVES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2004-06-02 EP disclosed
WO-2004021969-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2004-03-18 WO disclosed
US-6610714-B2 HIV viricides MEDIVIR AB (SE) 2003-08-26 US disclosed
US-20030092743-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2003-05-15 US disclosed
WO-2003020705-A1 UREA AND THIOUREA DERIVATIVES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2003-03-13 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 (3 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-20230002324-A1 NAPHTHOQUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISORDERS NFE2L2, AIFM2, GPX4 ALDH1A1 899/4885SMN1; SMN2 340/4885BRD4 2280/4885
US-20030092743-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS SUB1, HCFC1, CCR1 ALDH1A1 848/4885SMN1; SMN2 3265/4885BRD4 1476/4885
US-20060167055-A1 Non-nucleoside reverse transcriptase inhibitors POLR2H, POLR2E, POLR1E ALDH1A1 2705/4885SMN1; SMN2 2895/4885BRD4 691/4885

“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.