SCHEMBL9608979

SCHEMBL9608979

CCc1cnn(-c2ccccc2)c1C(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
POLB P06746 2/20 0.59
ALDH1A1 P00352 5/20 0.56
KDM4E B2RXH2 1/20 0.56
NR4A3 Q92570 1/20 0.48
MPO P05164 1/20 0.46
KMT2A Q03164 3/20 0.44
NPSR1 Q6W5P4 3/20 0.44
MEN1 O00255 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
HTT P42858 2/20 0.44
RECQL P46063 1/20 0.44
LMNA P02545 3/20 0.43
SMO Q99835 1/20 0.43
RAB9A P51151 1/20 0.43
PPARG P37231 1/20 0.41

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
SCHEMBL17922506 0.86 P2RX7 (0.54) MAPTSMN1; SMN2POLBALDH1A1KDM4E
SCHEMBL2047977 0.86 SMN1; SMN2 (0.48) MAPTSMN1; SMN2POLBALDH1A1KDM4E
SCHEMBL9608983 0.84 MAPT (0.47) MAPTSMN1; SMN2POLBALDH1A1KDM4E
SCHEMBL13957778 0.84 SMN1; SMN2 (0.55) MAPTSMN1; SMN2POLBALDH1A1KDM4E
SCHEMBL3902799 0.84 SMN1; SMN2 (0.59) MAPTSMN1; SMN2POLBALDH1A1KDM4E
SCHEMBL25440035 0.83 MAPT (0.62) MAPTSMN1; SMN2POLBALDH1A1KDM4E
SCHEMBL26331616 0.83 SMN1; SMN2 (0.51) MAPTSMN1; SMN2POLBALDH1A1KDM4E
SCHEMBL31584200 0.81 ALDH1A1 (0.56) MAPTSMN1; SMN2POLBALDH1A1KDM4E
SCHEMBL6527813 0.80 ALDH1A1 (0.52) MAPTSMN1; SMN2POLBALDH1A1KDM4E
SCHEMBL14310927 0.79 MAPT (0.74) MAPTSMN1; SMN2POLBALDH1A1KDM4E

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-20200115356-A1 Modulation of Bacterial Quorum Sensing With Synthetic Ligands WISCONSIN ALUMNI RESEARCH FOUNDATION 2020-04-16 US disclosed
US-20120135975-A1 Substituted Esters as Cannabinoid-1 Receptor Modulators MERCK & CO., INC. (US) 2012-05-31 US disclosed
US-7932283-B2 Fungicide N-cyclopropyl-sulfonylamide derivatives BAYER CROPSCIENCE AG (DE) 2011-04-26 US disclosed
US-20090137611-A1 Fungicide N-Cyclopropyl-Sulfonylamide Derivatives BAYER CROPSCIENCE AG (DE) 2009-05-28 US disclosed
US-20080312435-A1 Imine Compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-18 US disclosed
EP-1414809-B1 INDANE ACETIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS, INTERMEDIATES, AND METHOD OF PREPARATION BAYER CORP (US) 2008-03-12 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 (4 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-20080312435-A1 Imine Compound CNR1, CNR2, HRH4 MAPT 4160/4885SMN1; SMN2 1844/4885POLB 4390/4885
US-20200115356-A1 Modulation of Bacterial Quorum Sensing With Synthetic Ligands AHCYL1, EBPL, AIP MAPT 4822/4885SMN1; SMN2 4883/4885POLB 4816/4885
US-20120135975-A1 Substituted Esters as Cannabinoid-1 Receptor Modulators CNR1, CNR2, FAAH MAPT 764/4885SMN1; SMN2 398/4885POLB 2185/4885
US-20090137611-A1 Fungicide N-Cyclopropyl-Sulfonylamide Derivatives CYP51A1, ERG28, CBR3 MAPT 2939/4885SMN1; SMN2 2319/4885POLB 4713/4885

“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.