SCHEMBL61294

SCHEMBL61294

CC(C)(C)OC(=O)NCCCON=C1c2ccc(S(=O)(=O)N3CCCCCCC3)cc2C(=NO)c2cc(S(=O)(=O)N3CCCCCCC3)ccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.53
▸ TP53 P04637 4/20 0.53
▸ HTT P42858 3/20 0.53
▸ NPSR1 Q6W5P4 3/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ POLB P06746 3/20 0.53
▸ KDM4E B2RXH2 2/20 0.53
▸ NPC1 O15118 2/20 0.53
▸ HPGD P15428 2/20 0.53
▸ RAB9A P51151 2/20 0.53
▸ TSHR P16473 2/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ PAX8 Q06710 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ CYP2C9 P11712 1/20 0.43
▸ XBP1 P17861 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ CA12 O43570 5/20 0.42

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
SCHEMBL60720 0.97 POLB (0.47) MAPTTP53HTTNPSR1SMN1; SMN2
SCHEMBL8825685 0.84 MAPT (0.61) MAPTTP53HTTNPSR1SMN1; SMN2
SCHEMBL55962 0.81 MAPT (0.65) MAPTTP53HTTNPSR1SMN1; SMN2
SCHEMBL8825687 0.79 ALDH1A1 (0.52) MAPTTP53HTTNPSR1SMN1; SMN2
SCHEMBL18417992 0.76 SMN1; SMN2 (0.67) MAPTTP53HTTNPSR1SMN1; SMN2
SCHEMBL18417989 0.76 SMN1; SMN2 (0.67) MAPTTP53HTTNPSR1SMN1; SMN2
SCHEMBL18422582 0.76 HTT (0.57) MAPTTP53HTTNPSR1SMN1; SMN2
SCHEMBL18422583 0.76 HTT (0.57) MAPTTP53HTTNPSR1SMN1; SMN2
SCHEMBL55243 0.75 TSHR (0.55) MAPTTP53HTTNPSR1SMN1; SMN2
SCHEMBL13366830 0.75 RAB9A (0.94) MAPTTP53HTTNPSR1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9446021-B2 Derivatives of fluorene, anthracene, xanthene, dibenzosuberone and acridine and uses thereof DOGWOOD PHARMACEUTICALS, INC. (US) 2016-09-20 — — US disclosed
US-9446021-B2 Derivatives of fluorene, anthracene, xanthene, dibenzosuberone and acridine and uses thereof DOGWOOD PHARMACEUTICALS, INC. (US) 2016-09-20 — — US disclosed
US-20150313873-A1 Derivatives of Fluorene, Anthracene, Xanthene, Dibenzosuberone and Acridine and Uses Thereof DOGWOOD PHARMACEUTICALS, INC. 2015-11-05 — — US disclosed
US-20150313873-A1 Derivatives of Fluorene, Anthracene, Xanthene, Dibenzosuberone and Acridine and Uses Thereof DOGWOOD PHARMACEUTICALS, INC. 2015-11-05 — — US disclosed
US-9120754-B2 Derivatives of fluorene, anthracene, xanthene, dibenzosuberone and acridine and uses thereof DOGWOOD PHARMACEUTICALS, INC. (US) 2015-09-01 — — US disclosed
US-9120754-B2 Derivatives of fluorene, anthracene, xanthene, dibenzosuberone and acridine and uses thereof DOGWOOD PHARMACEUTICALS, INC. (US) 2015-09-01 — — US disclosed
US-20120129837-A1 Derivatives of Fluorene, Anthracene, Xanthene, Dibenzosuberone and Acridine and Uses Thereof ALLERGAN SALES, LLC 2012-05-24 — — US disclosed
US-8129519-B2 Derivatives of fluorene, anthracene, xanthene, dibenzosuberone and acridine and uses thereof ALLERGAN SALES, LLC 2012-03-06 — — US disclosed
US-8129519-B2 Derivatives of fluorene, anthracene, xanthene, dibenzosuberone and acridine and uses thereof ALLERGAN SALES, LLC 2012-03-06 — — US disclosed
US-20100137354-A1 DERIVATIVES OF FLUORENE, ANTHRACENE, XANTHENE, DIBENZOSUBERONE AND ACRIDINE AND USES THEREOF ALLERGAN SALES, LLC 2010-06-03 — — US disclosed
US-20100137354-A1 DERIVATIVES OF FLUORENE, ANTHRACENE, XANTHENE, DIBENZOSUBERONE AND ACRIDINE AND USES THEREOF ALLERGAN SALES, LLC 2010-06-03 — — US disclosed
WO-2010059142-A1 ANTHRAQUINONE DIOXIMES AND USES THEREOF AVALON PHARMACEUTICALS (US) 2010-05-27 — — WO disclosed
WO-2008140792-A1 DERIVATIVES OF FLUORENE, ANTHRACENE, XANTHENE, DIBENZOSUBERONE AND ACRIDINE AND USES THEREOF AVALON PHARMACEUTICALS (US) 2008-11-20 — — 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-20120129837-A1 Derivatives of Fluorene, Anthracene, Xanthene, Dibenzosuberone and Acridine and Uses Thereof WNT1, CTNND1, CTNNB1 MAPT 3945/4885TP53 43/4885HTT 3408/4885
US-20150313873-A1 Derivatives of Fluorene, Anthracene, Xanthene, Dibenzosuberone and Acridine and Uses Thereof WNT1, CTNND1, CTNNB1 MAPT 3945/4885TP53 43/4885HTT 3408/4885
US-20100137354-A1 DERIVATIVES OF FLUORENE, ANTHRACENE, XANTHENE, DIBENZOSUBERONE AND ACRIDINE AND USES THEREOF WNT1, CTNND1, CTNNB1 MAPT 3945/4885TP53 43/4885HTT 3408/4885

“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.

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