SCHEMBL4623701

SCHEMBL4623701

COC(=O)NCc1cc(CO)ccc1Cl

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.62
SMN1; SMN2 Q16637 4/20 0.49
KMT2A Q03164 2/20 0.42
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
LMNA P02545 2/20 0.40
POLB P06746 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
MAPK10 P53779 1/20 0.39
MAPK1 P28482 1/20 0.39
NLRP1 Q9C000 1/20 0.39
HSD17B2 P37059 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
SCHEMBL1751580 0.89 TSHR (0.73) TSHRSMN1; SMN2KMT2ALMNAMEN1
SCHEMBL4623561 0.86 TSHR (0.60) TSHRSMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL16321355 0.84 NPC1 (0.42) TSHRSMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL4623474 0.82 TSHR (0.56) TSHRSMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL1758939 0.81 TSHR (0.54) TSHRSMN1; SMN2KMT2ALMNAPOLB
SCHEMBL4439591 0.80 TSHR (0.54) TSHRSMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL754896 0.79 TSHR (0.55) TSHRSMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL4624413 0.79 TSHR (0.55) TSHRSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL1759206 0.79 TSHR (0.55) TSHRSMN1; SMN2KMT2ALMNAMEN1
SCHEMBL4623289 0.78 TSHR (0.54) TSHRSMN1; SMN2KMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160122327-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2016-05-05 US disclosed
WO-2014202703-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2014-12-24 WO disclosed
EP-1201648-B1 CARBAMATE DERIVATIVES AND AGRICULTURAL/HORTICULTURAL BACTERICIDES KUMIAI CHEMICAL INDUSTRY CO (JP) 2008-04-02 EP disclosed
US-6812229-B1 OXIME SUBSTITUTED PHENYL; RAIN-FAST WITHOUT CROP DAMAGE; CUCUMBER DOWNY MILDEW, APPLE SCAB, WHEAT POWDERY MILDEW, RICE BLAST, CUCUMBER GRAY MOLD, RICE SHEATH BLIGHT, WHEAT BROWN LEAF RUST, WHEAT SEPTORIA LEAF BLOTCH AND CUCUMBER STEM ROT KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2004-11-02 US disclosed
EP-1201648-A1 CARBAMATE DERIVATIVES AND AGRICULTURAL/HORTICULTURAL BACTERICIDES KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2002-05-02 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 (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-20160122327-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI SNX1, DPM1, SNU13 TSHR 4813/4885SMN1; SMN2 2653/4885KMT2A 3783/4885

“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.