SCHEMBL29889397

SCHEMBL29889397

OB(O)c1cccnc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HDAC6 Q9UBN7 1/20 0.35
ELANE P08246 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MGLL Q99685 2/20 0.33
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 2/20 0.33
SSTR4 P31391 2/20 0.33
EPHX2 P34913 1/20 0.33
DHODH Q02127 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL956094 1.00 HTT (0.36) HTTHSD17B10HDAC6ELANEKDM4E
SCHEMBL27194760 0.86 GRM4 (0.33) KDM4ESSTR4GAA
SCHEMBL15533151 0.78 SSTR4 (0.32) HCRTR1HCRTR2SSTR4
SCHEMBL25707523 0.74 HTT (0.35) HTTHSD17B10MGLL
SCHEMBL30050607 0.74 HTT (0.35) HTTHSD17B10MGLL
SCHEMBL29955831 0.74 HTT (0.35) HTTHSD17B10MGLL
SCHEMBL29952041 0.74 HTT (0.35) HTTHSD17B10MGLL
SCHEMBL29951895 0.73 HTT (0.41) HTTHSD17B10MGLL
SCHEMBL5128448 0.73 SSTR4 (0.37) SSTR4DHODH
SCHEMBL12097746 0.73 SCN9A (0.41) HCRTR1HCRTR2SSTR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260116891-A1 Oxazepin Derivative TEIJIN PHARMA LTD (JP) 2026-04-30 US disclosed
US-12336991-B2 Factor XIIA inhibitors UNIVERSITY OF LEEDS (GB) 2025-06-24 US disclosed
EP-4512811-A1 OXAZEPINE DERIVATIVE Teijin Pharma Limited (JP) 2025-02-26 EP disclosed
WO-2023122093-A1 REV-ERB AGONISTS FOR TH17-MEDIATED INFLAMMATORY DISORDERS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2023-06-29 WO disclosed
EP-4182313-A1 KRAS G12D INHIBITORS Mirati Therapeutics, Inc. (US) 2023-05-24 EP disclosed
CN-111094271-B Pyridinamine-pyridinone compounds and pyrimidinamine-pyridinone compounds 思普瑞特生物科学公司 2023-02-28 CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-20220305011-A1 FACTOR XIIA INHIBITORS UNIVERSITY OF LEEDS (GB) 2022-09-29 US disclosed
EP-4055013-A1 WDR5 INHIBITORS AND MODULATORS Vanderbilt University (US) 2022-09-14 EP disclosed
CN-109311887-B Pyrazolo [1,5-a ] pyrimidinecarboxamide compounds and their use in the treatment of medical conditions BIAL研发投资股份有限公司 2022-09-13 CN 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-20220305011-A1 FACTOR XIIA INHIBITORS F11, F13B, F12 HTT 3216/4885HSD17B10 1103/4885HDAC6 647/4885
US-12336991-B2 Factor XIIA inhibitors F11, F13B, F12 HTT 3216/4885HSD17B10 1103/4885HDAC6 647/4885
US-20260116891-A1 Oxazepin Derivative HCRTR2, HCRTR1, OXTR HTT 1846/4885HSD17B10 751/4885HDAC6 651/4885

“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.