SCHEMBL8825685

SCHEMBL8825685

BNCCCON=C1c2ccc(S(=O)(=O)N3CCCCCCC3)cc2C(=NO)c2cc(S(=O)(=O)N3CCCCCCC3)ccc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.61
▸ ALDH1A1 P00352 5/20 0.61
▸ KDM4E B2RXH2 3/20 0.61
▸ NPC1 O15118 2/20 0.61
▸ HPGD P15428 2/20 0.61
▸ HTT P42858 2/20 0.61
▸ RAB9A P51151 2/20 0.61
▸ SMN1; SMN2 Q16637 2/20 0.61
▸ NPSR1 Q6W5P4 2/20 0.61
▸ POLB P06746 2/20 0.61
▸ TP53 P04637 2/20 0.61
▸ TDP1 Q9NUW8 2/20 0.61
▸ LMNA P02545 2/20 0.61
▸ TSHR P16473 2/20 0.61
▸ PAX8 Q06710 1/20 0.61
▸ HSD17B10 Q99714 1/20 0.61
▸ CYP2C9 P11712 1/20 0.47
▸ XBP1 P17861 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ PKM P14618 1/20 0.40

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
SCHEMBL8825687 0.95 ALDH1A1 (0.52) MAPTALDH1A1KDM4ENPC1HPGD
SCHEMBL55962 0.87 MAPT (0.65) MAPTALDH1A1KDM4ENPC1HPGD
SCHEMBL61294 0.84 MAPT (0.53) MAPTALDH1A1KDM4ENPC1HPGD
SCHEMBL18462258 0.82 NPSR1 (0.67) MAPTALDH1A1KDM4ENPC1HPGD
SCHEMBL55243 0.81 TSHR (0.55) MAPTALDH1A1KDM4ENPC1HPGD
SCHEMBL60258 0.80 RAB9A (0.94) MAPTALDH1A1KDM4ENPC1HPGD
SCHEMBL61215 0.80 RAB9A (0.94) MAPTALDH1A1KDM4ENPC1HPGD
SCHEMBL13366830 0.80 RAB9A (0.94) MAPTALDH1A1KDM4ENPC1HPGD
SCHEMBL13366895 0.80 RAB9A (0.94) MAPTALDH1A1KDM4ENPC1HPGD
SCHEMBL13366900 0.80 RAB9A (0.94) MAPTALDH1A1KDM4ENPC1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120129837-A1 Derivatives of Fluorene, Anthracene, Xanthene, Dibenzosuberone and Acridine and Uses Thereof ALLERGAN SALES, LLC 2012-05-24 — — US 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 (1 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 3945/4885ALDH1A1 1583/4885KDM4E 3291/4885

“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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