SCHEMBL16745978

SCHEMBL16745978

CC1=NCC2=C1c1ccc(Cl)cc1N(S(=O)(=O)c1ccccc1)CC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ HTR6 P50406 8/20 0.40
▸ DRD3 P35462 6/20 0.40
▸ DRD2 P14416 3/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ HRH3 Q9Y5N1 2/20 0.40
▸ TP53 P04637 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ PKM P14618 1/20 0.39

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
SCHEMBL16738080 0.74 MEN1 (0.43) MEN1KMT2AL3MBTL1LMNAMAPT
SCHEMBL4726759 0.70 HTR6 (0.50) MEN1KMT2ALMNAMAPTKDM4E
SCHEMBL10186983 0.70 MEN1 (0.69) MEN1KMT2AL3MBTL1MAPTHTR6
SCHEMBL26159157 0.66 MAPT (0.51) MEN1KMT2ALMNAMAPTHTR6
SCHEMBL27995397 0.63 MAPT (0.50) MEN1KMT2ALMNAMAPTHTR6
SCHEMBL28671140 0.62 KCNA3 (0.60) MEN1KMT2ALMNAMAPTKDM4E
SCHEMBL5915295 0.62 MEN1 (1.00) MEN1KMT2AL3MBTL1LMNAMAPT
SCHEMBL2704794 0.62 KMT2A (0.56) MEN1KMT2AMAPTHTR6TP53
SCHEMBL2705507 0.62 KMT2A (0.68) MEN1KMT2AL3MBTL1MAPTHTR6
SCHEMBL30480937 0.61 OPRK1 (0.51) LMNAMAPTALDH1A1DRD2TP53

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 2 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-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 251/4885L3MBTL1 3030/4885

“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.

Send feedback