SCHEMBL17605048

SCHEMBL17605048

O=C(CBr)N(Cc1ccccc1)C(C1CC1)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ EP300 Q09472 3/20 0.42
▸ CREBBP Q92793 3/20 0.42
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ AKT1 P31749 1/20 0.40
▸ LMNA P02545 4/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ HTT P42858 1/20 0.39
▸ PAX8 Q06710 1/20 0.39
▸ L3MBTL1 Q9Y468 3/20 0.37
▸ POLB P06746 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL17605102 1.00 EP300 (0.42) EP300CREBBPMEN1KMT2AAKT1
SCHEMBL17605046 1.00 EP300 (0.42) EP300CREBBPMEN1KMT2AAKT1
SCHEMBL17606288 0.88 GAA (0.39) EP300CREBBPLMNAALDH1A1CYP2C9
SCHEMBL17606359 0.88 GAA (0.39) EP300CREBBPLMNAALDH1A1CYP2C9
SCHEMBL17606290 0.88 GAA (0.39) EP300CREBBPLMNAALDH1A1CYP2C9
SCHEMBL17604800 0.82 MEN1 (0.46) EP300CREBBPMEN1KMT2AAKT1
SCHEMBL17604959 0.80 EP300 (0.58) EP300CREBBPMEN1KMT2ALMNA
SCHEMBL17605963 0.80 EP300 (0.58) EP300CREBBPMEN1KMT2ALMNA
SCHEMBL17605158 0.80 EP300 (0.58) EP300CREBBPMEN1KMT2ALMNA
SCHEMBL17606427 0.75 EP300 (0.53) EP300CREBBPMEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180193315-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE ABBVIE INC (US) 2018-07-12 — — US disclosed
US-20180071262-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE ABBVIE INC. (US) 2018-03-15 — — US disclosed
US-20160235716-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE ABBVIE INC. (US) 2016-08-18 — — US disclosed
WO-2016044770-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE ABBVIE INC. (US) 2016-03-24 — — 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 (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-20160235716-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE KAT2B, HDAC1, HDAC9 EP300 5/4885CREBBP 154/4885MEN1 330/4885
US-20180193315-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE KAT2B, HDAC1, KAT2A EP300 6/4885CREBBP 153/4885MEN1 310/4885
US-20180071262-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE KAT2B, HDAC1, HDAC9 EP300 5/4885CREBBP 154/4885MEN1 330/4885

“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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