SCHEMBL18748895

SCHEMBL18748895

COC(=S)Nc1ccccc1COc1ccc(C)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.44
KMT2A Q03164 8/20 0.42
MEN1 O00255 5/20 0.42
GAA P10253 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 3/20 0.41
ALOX12 P18054 1/20 0.41
LMNA P02545 5/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 5/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.36
TSHR P16473 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RAB9A P51151 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36

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
SCHEMBL18748900 0.88 MAPT (0.45) MRGPRX4KMT2AMEN1GAAKDM4E
SCHEMBL18748923 0.86 KMT2A (0.38) KMT2AMEN1GAAKDM4EMAPT
SCHEMBL18748784 0.86 MRGPRX4 (0.50) MRGPRX4KMT2AMEN1KDM4EMAPT
SCHEMBL18515002 0.86 KMT2A (0.41) KMT2AMEN1GAAKDM4EMAPT
SCHEMBL18749099 0.85 KMT2A (0.46) KMT2AMEN1GAAKDM4EMAPT
SCHEMBL18749042 0.85 MAPT (0.46) KMT2AMEN1KDM4EMAPTLMNA
SCHEMBL18748892 0.85 MRGPRX4 (0.44) MRGPRX4KMT2AMEN1GAAKDM4E
SCHEMBL18748873 0.85 MRGPRX4 (0.42) MRGPRX4KMT2AMEN1GAAKDM4E
SCHEMBL18748897 0.85 MRGPRX4 (0.45) MRGPRX4KMT2AMEN1GAAKDM4E
SCHEMBL18749106 0.85 HPGD (0.42) MRGPRX4KMT2AMEN1MAPTALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9907307-B2 Aromatic compound and uses thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-03-06 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-20170105416-A1 AROMATIC COMPOUND AND USES THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-04-20 US 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 MRGPRX4 959/4885KMT2A 705/4885MEN1 1194/4885
US-20170105416-A1 AROMATIC COMPOUND AND USES THEREOF TYR, H1-3, H1-10 MRGPRX4 778/4885KMT2A 1447/4885MEN1 2823/4885

“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.