SCHEMBL14097635

SCHEMBL14097635

Cc1cc(CC(=O)N(C)C)on1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VHL P40337 2/20 0.55
HCAR2 Q8TDS4 1/20 0.43
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GAA P10253 1/20 0.40
MLNR O43193 1/20 0.40
CYP3A4 P08684 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
EPHX2 P34913 1/20 0.40
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
P2RX7 Q99572 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HSD17B10 Q99714 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 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
SCHEMBL1679820 0.86 VHL (0.53) VHLHCAR2MEN1KMT2AMLNR
SCHEMBL16748871 0.83 VHL (0.50) VHLHCAR2MEN1KMT2AMLNR
SCHEMBL4093165 0.79 VHL (0.60) VHLHCAR2MEN1KMT2ANPC1
SCHEMBL6251 0.79 VHL (0.60) VHLHCAR2MEN1KMT2AEPHX2
SCHEMBL1698651 0.78 VHL (0.58) VHLHCAR2MEN1KMT2ANPC1
SCHEMBL6709129 0.78 VHL (0.58) VHLHCAR2MEN1KMT2ANPC1
SCHEMBL314857 0.78 VHL (0.58) VHLHCAR2MEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL1375734 0.78 VHL (0.58) VHLHCAR2MEN1KMT2AEPHX2
SCHEMBL4751904 0.77 VHL (0.54) VHLHCAR2MEN1KMT2ARAB9A
SCHEMBL12530329 0.76 VHL (0.57) VHLHCAR2MEN1KMT2ANPC1

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-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
WO-2008092831-A1 PTERIDINONE DERIVATIVES AS PI3-KINASES INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-08-07 WO disclosed
EP-1953163-A1 Pteridinone derivatives as PI3-kinases inhibitors Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2008-08-06 EP 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 VHL 2480/4885HCAR2 914/4885MEN1 4575/4885

“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.