SCHEMBL7706276

SCHEMBL7706276

CCCc1c(F)cccc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.44
KDM1A O60341 1/20 0.44
MAOA P21397 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPK1 P28482 1/20 0.44
NFE2L2 Q16236 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KCNH2 Q12809 1/20 0.42
ALOX5 P09917 1/20 0.41
PTGS2 P35354 1/20 0.41
TAAR1 Q96RJ0 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 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
SCHEMBL19304367 0.89 ALOX5 (0.46) L3MBTL1KDM1AMAOATDP1SMN1; SMN2
SCHEMBL8564056 0.86 CA1 (0.48) TDP1SMN1; SMN2MAPK1ALOX5PTGS2
SCHEMBL20858089 0.85 L3MBTL1 (0.44) L3MBTL1KDM1AMAOATDP1SMN1; SMN2
SCHEMBL1239851 0.85 TAAR1 (0.53) L3MBTL1KDM1AMAOATDP1SMN1; SMN2
SCHEMBL8418210 0.84 L3MBTL1 (0.47) L3MBTL1KDM1AMAOATDP1SMN1; SMN2
SCHEMBL178447 0.82 L3MBTL1 (0.46) L3MBTL1KDM1AMAOATDP1SMN1; SMN2
SCHEMBL170879 0.81 TAAR1 (0.45) SMN1; SMN2TAAR1KMT2AMEN1KDM4E
SCHEMBL9045048 0.80 L3MBTL1 (0.45) L3MBTL1KDM1AMAOATDP1SMN1; SMN2
Formaldehyde SCHEMBL27470199 0.80 ALOX5 (0.43) SMN1; SMN2MAPK1ALOX5PTGS2TAAR1
SCHEMBL3208304 0.79 KDM1A (0.41) L3MBTL1KDM1AMAOATDP1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200397774-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS INCYTE HOLDINGS CORPORATION 2020-12-24 US disclosed
US-20120022043-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2012-01-26 US disclosed
EP-0906301-B1 BENZOFURYL DERIVATIVES AND THEIR USE HOFFMANN LA ROCHE (CH) 2002-10-02 EP disclosed
US-5955495-A BENZOFURAN-2-CARBOXAMIDINE OR 2-CARBOXAMIDOXIME COMPOUNDS USEFUL IN THE CONTROL OR PREVENTION OF ILLNESSES OR DISORDERS OF THE CENTRAL NERVOUS SYSTEM SUCH AS MIGRAINE, SCHIZOPHRENIA, ANXIETY STATES, SLEEP DISORDERS, ANOREXIA, ALZHEIMER'S HOFFMANN-LA ROCHE INC. (US) 1999-09-21 US disclosed
EP-0906301-A1 BENZOFURYL DERIVATIVES AND THEIR USE F. HOFFMANN-LA ROCHE AG (CH) 1999-04-07 EP disclosed
WO-1997042183-A1 BENZOFURYL DERIVATIVES AND THEIR USE F. HOFFMANN-LA ROCHE AG (CH) 1997-11-13 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-20120022043-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 L3MBTL1 1966/4885KDM1A 748/4885MAOA 4240/4885
US-20200397774-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS JAK1, JAK2, JAK3 L3MBTL1 3775/4885KDM1A 89/4885MAOA 4445/4885

“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.