SCHEMBL16628018

SCHEMBL16628018

Cc1cc(-c2nn(C)c(F)c2C=O)ccc1OC(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.39
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP1A2 P05177 1/20 0.39
GRM2 Q14416 2/20 0.36
SENP2 Q9HC62 1/20 0.34
SENP1 Q9P0U3 1/20 0.34
KMT2A Q03164 1/20 0.34
HTT P42858 2/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
S1PR5 Q9H228 1/20 0.32
KDM4E B2RXH2 1/20 0.32
SRC P12931 2/20 0.32
LMNA P02545 2/20 0.32
CREBBP Q92793 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL18156092 0.91 MAPT (0.33) HPGDMAPTSMN1; SMN2ALDH1A1KMT2A
SCHEMBL22056822 0.86 PTGS2 (0.41) HPGDMAPTSMN1; SMN2ALDH1A1KMT2A
SCHEMBL16273653 0.86 MAPT (0.39) HPGDMAPTSMN1; SMN2ALDH1A1CYP2C9
SCHEMBL16627217 0.86 MAPT (0.39) HPGDMAPTSMN1; SMN2ALDH1A1CYP2C9
SCHEMBL16911183 0.85 MAPT (0.37) HPGDMAPTSMN1; SMN2ALDH1A1CYP2C9
SCHEMBL16273682 0.85 HPGD (0.38) HPGDMAPTSMN1; SMN2ALDH1A1CYP2C9
SCHEMBL16273747 0.85 SMN1; SMN2 (0.38) HPGDMAPTSMN1; SMN2ALDH1A1CYP2C9
SCHEMBL16628020 0.84 GRM2 (0.39) HPGDMAPTSMN1; SMN2ALDH1A1GRM2
SCHEMBL16910940 0.83 SENP2 (0.38) HPGDMAPTSMN1; SMN2ALDH1A1CYP2C9
SCHEMBL16273748 0.75 S1PR1 (0.46) S1PR1S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9788547-B2 Aromatic compound and uses thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-10-17 US disclosed
US-9788547-B2 Aromatic compound and uses thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-10-17 US disclosed
US-20170105413-A1 AROMATIC COMPOUND AND USES THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-04-20 US disclosed
US-20170105413-A1 AROMATIC COMPOUND AND USES THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-04-20 US disclosed
US-9573904-B2 Aromatic compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-02-21 US disclosed
US-9573904-B2 Aromatic compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-02-21 US disclosed
US-20160311775-A1 AROMATIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-10-27 US disclosed
US-20160311775-A1 AROMATIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-10-27 US disclosed
WO-2015050040-A1 PLANT DISEASE CONTROL COMPOSITION AND USE THEREOF 住友化学株式会社 2015-04-09 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-20170105413-A1 AROMATIC COMPOUND AND USES THEREOF TYR, H1-3, H1-0 HPGD 4800/4885MAPT 3329/4885SMN1; SMN2 3813/4885
US-20160311775-A1 AROMATIC COMPOUND AND USE THEREOF ZCCHC8, CBR3, CBX8 HPGD 4638/4885MAPT 4572/4885SMN1; SMN2 4166/4885

“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.