SCHEMBL20907651

SCHEMBL20907651

Cc1c(N)nsc1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
PKM P14618 2/20 0.36
ALDH1A1 P00352 3/20 0.35
HPGD P15428 2/20 0.35
TSHR P16473 1/20 0.35
GPR35 Q9HC97 5/20 0.33
NPSR1 Q6W5P4 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32
GLA P06280 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
RAB9A P51151 1/20 0.32
TDP1 Q9NUW8 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
BCAT2 O15382 2/20 0.31
LMNA P02545 2/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL20631657 0.78 ALDH1A1 (0.42) KDM4EALDH1A1HPGDTSHRRXFP1
SCHEMBL12355760 0.77 KDM4E (0.43) KDM4EPKMALDH1A1HPGDTSHR
SCHEMBL3869347 0.74 KDM4E (0.41) KDM4EPKMALDH1A1HPGDTSHR
SCHEMBL17871026 0.74 GPR35 (0.36) GPR35TDP1
SCHEMBL17885169 0.74 TDP1 (0.31) TDP1
SCHEMBL17870983 0.74 TDP1 (0.35) ALDH1A1HPGDTSHRGPR35RXFP1
SCHEMBL17871003 0.69 GPR35 (0.33) GPR35
SCHEMBL2804281 0.67 TDP1 (0.41) KDM4EALDH1A1HPGDTSHRNPSR1
SCHEMBL11699888 0.66
SCHEMBL12768618 0.65 GPR35 (0.41) KDM4EPKMALDH1A1HPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190110476-A1 NOVEL ISOTHIAZOLAMIDES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-04-18 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 (1 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-20190110476-A1 NOVEL ISOTHIAZOLAMIDES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES CYP4Z1, CYP51A1, CBR3 KDM4E 1011/4885PKM 2160/4885ALDH1A1 2424/4885

“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.