SCHEMBL16738080

SCHEMBL16738080

Cc1noc2c1-c1ccc(Cl)cc1N(S(=O)(=O)c1ccccc1)CC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ BRD4 O60885 2/20 0.41
▸ HTR6 P50406 5/20 0.41
▸ MAPT P10636 4/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ EDNRB P24530 1/20 0.39
▸ EDNRA P25101 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ DRD3 P35462 4/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39
▸ PKM P14618 2/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ LMNA P02545 2/20 0.38

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
SCHEMBL16745978 0.74 MEN1 (0.44) MEN1KMT2AHTR6MAPTALDH1A1
SCHEMBL4726759 0.72 HTR6 (0.50) MEN1KMT2AHTR6MAPTALDH1A1
SCHEMBL16746004 0.70 BRD4 (0.73) MEN1KMT2ABRD4
SCHEMBL10186983 0.69 MEN1 (0.69) MEN1KMT2AHTR6MAPTDRD3
SCHEMBL28923620 0.69 NR1H3 (0.44) BRD4HTR6MAPTCYP2C9PKM
SCHEMBL16738085 0.69 BRD4 (0.53) BRD4ALDH1A1DRD2POLB
SCHEMBL26159157 0.68 MAPT (0.51) MEN1KMT2AHTR6MAPTLMNA
SCHEMBL22316581 0.67 BRD4 (0.45) BRD4EDNRBEDNRA
SCHEMBL28671140 0.64 KCNA3 (0.60) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL16738074 0.64 BRD4 (0.67) BRD4HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9624244-B2 Benzo [B] isoxazoloazepine bromodomain inhibitors and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2017-04-18 — — US disclosed
US-9624244-B2 Benzo [B] isoxazoloazepine bromodomain inhibitors and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2017-04-18 — — US disclosed
US-9624244-B2 Benzo [B] isoxazoloazepine bromodomain inhibitors and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2017-04-18 — — US disclosed
EP-2864336-B1 BENZO[B]ISOXAZOLOAZEPINE BROMODOMAIN INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS INC (US) 2016-11-23 — — EP disclosed
EP-2864336-B1 BENZO[B]ISOXAZOLOAZEPINE BROMODOMAIN INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS INC (US) 2016-11-23 — — EP disclosed
US-20150148333-A1 BENZO [B] ISOXAZOLOAZEPINE BROMODOMAIN INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. 2015-05-28 — — US disclosed
US-20150148333-A1 BENZO [B] ISOXAZOLOAZEPINE BROMODOMAIN INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. 2015-05-28 — — US disclosed
US-20150148333-A1 BENZO [B] ISOXAZOLOAZEPINE BROMODOMAIN INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. 2015-05-28 — — 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-20150148333-A1 BENZO [B] ISOXAZOLOAZEPINE BROMODOMAIN INHIBITORS AND USES THEREOF BRD4, BRD3, BRD2 MEN1 4575/4885KMT2A 251/4885BRD4 1/4885

“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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