SCHEMBL5101889

SCHEMBL5101889

Nc1ccc(C=CC(=O)c2ccc3ccccc3n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.55
CYP1B1 Q16678 2/20 0.51
HDAC8 Q9BY41 3/20 0.51
HDAC6 Q9UBN7 3/20 0.51
HDAC1 Q13547 2/20 0.51
HDAC2 Q92769 2/20 0.51
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51
CNR2 P34972 1/20 0.49
MGAM O43451 1/20 0.49
MAPT P10636 4/20 0.48
ALDH1A1 P00352 2/20 0.48
GAA P10253 1/20 0.48
CYSLTR2 Q9NS75 3/20 0.47
CYSLTR1 Q9Y271 3/20 0.47

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
SCHEMBL10275352 0.88 MGAM (0.59) CYP3A4CYP1B1HDAC8HDAC6HDAC1
SCHEMBL10275051 0.87 KMT2A (0.58) CYP3A4CYP1B1HDAC8HDAC6HDAC1
SCHEMBL10275506 0.86 MAPT (0.59) CYP3A4CYP1B1HDAC8HDAC6HDAC1
SCHEMBL15284971 0.84 CYP1A1 (0.59) CYP3A4CYP1B1HDAC8HDAC6HDAC1
SCHEMBL10275214 0.84 CYP3A4 (0.59) CYP3A4CYP1B1CNR2MGAMKMT2A
SCHEMBL5090120 0.82 ALDH1A1 (0.50) CYP3A4CYP1B1MAPTALDH1A1KMT2A
SCHEMBL27784008 0.81 MAPT (0.56) CYP3A4HDAC8HDAC6HDAC1HDAC2
SCHEMBL10275150 0.80 CNR2 (0.49) HDAC8HDAC6HDAC1HDAC2HDAC3
SCHEMBL10275177 0.78 CYP1A1 (0.62) CYP3A4CYP1B1MAPTKMT2ARAB9A
SCHEMBL1385625 0.77 ALDH1A1 (0.47) HDAC8HDAC6HDAC1HDAC2HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8557823-B2 Family of PFKFB3 inhibitors with anti-neoplastic activities ADVANCED CANCER THERAPEUTICS, LLC (US) 2013-10-15 US claimed
EP-4340897-A1 METHODS AND COMPOSITIONS FOR TREATING PANCREATIC AND HEPATIC DISEASE METANOIA BIO INC. (US) 2024-03-27 EP disclosed
EP-4340836-A1 METHODS AND COMPOSITIONS FOR TREATING NEUROLOGICAL CONDITIONS METANOIA BIO INC. (US) 2024-03-27 EP disclosed
CN-116615241-A Methods and compositions for diabetes treatment and beta cell regeneration 加利福尼亚大学董事会 2023-08-18 CN disclosed
EP-4200016-A1 METHODS AND COMPOSITIONS FOR DIABETES TREATMENT AND BETA-CELL REGENERATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-06-28 EP disclosed
WO-2022040161-A1 METHODS AND COMPOSITIONS FOR DIABETES TREATMENT AND BETA-CELL REGENERATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-02-24 WO disclosed
WO-2017208174-A2 METHODS OF TREATING DISEASE WITH PFKFB3 INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-12-07 WO disclosed
US-8557823-B2 Family of PFKFB3 inhibitors with anti-neoplastic activities ADVANCED CANCER THERAPEUTICS, LLC (US) 2013-10-15 US disclosed
US-20120177749-A1 FAMILY OF PFKFB3 INHIBITORS WITH ANTI-NEOPLASTIC ACTIVITIES UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2012-07-12 US disclosed
US-20080207608-A1 2-Propene-1-Ones As Hsp 70 Inducers TORRENT PHARMACEUTICALS LTD. (IN) 2008-08-28 US disclosed
EP-1748987-A2 2-PROPENE-1-ONES AS HSP 70 INDUCERS Torrent Pharmaceuticals Ltd (IN) 2007-02-07 EP disclosed
WO-2005097746-A2 2-PROPENE-1-ONES AS HSP 70 INDUCERS TORRENT PHARMACEUTICALS LTD (IN) 2005-10-20 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 (2 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-20120177749-A1 FAMILY OF PFKFB3 INHIBITORS WITH ANTI-NEOPLASTIC ACTIVITIES PFKFB3, PFKFB2, PFKFB1 CYP3A4 4440/4885CYP1B1 4552/4885HDAC8 809/4885
US-20080207608-A1 2-Propene-1-Ones As Hsp 70 Inducers HSPB1, HSF1, HSPE1 CYP3A4 1868/4885CYP1B1 620/4885HDAC8 4644/4885

“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.