SCHEMBL20320643

SCHEMBL20320643

COCCSc1nsc(C)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
LMNA P02545 3/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.37
RAB9A P51151 8/20 0.36
NPC1 O15118 7/20 0.36
KDM4E B2RXH2 4/20 0.36
MAPT P10636 2/20 0.36
POLB P06746 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPK1 P28482 2/20 0.34
GAA P10253 1/20 0.33
ALOX12 P18054 1/20 0.33
HSD17B10 Q99714 1/20 0.33
XBP1 P17861 1/20 0.33
MAP2K7 O14733 1/20 0.33
CDC25A P30304 1/20 0.33
CDC25B P30305 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL20320640 0.80 ALDH1A1 (0.37) ALDH1A1LMNAHPGDSMN1; SMN2RAB9A
SCHEMBL20320650 0.69 ALDH1A1 (0.37) ALDH1A1LMNAHPGDSMN1; SMN2RAB9A
SCHEMBL20320644 0.65 TSHR (0.36)
SCHEMBL11375936 0.64 SMN1; SMN2 (0.38) ALDH1A1LMNAHPGDSMN1; SMN2RAB9A
SCHEMBL5309389 0.63 LMNA (0.44) ALDH1A1LMNAHPGDRAB9ANPC1
SCHEMBL22796328 0.61
SCHEMBL11326800 0.58 ALDH1A1 (1.00) ALDH1A1LMNAHPGDSMN1; SMN2RAB9A
SCHEMBL30905061 0.56 NPC1 (0.59) ALDH1A1LMNAHPGDSMN1; SMN2RAB9A
SCHEMBL14734012 0.55 HSD17B10 (0.53) ALDH1A1LMNAHPGDKDM4EPOLB
SCHEMBL1025612 0.55 ALDH1A1 (0.64) ALDH1A1HPGDSMN1; SMN2RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES BAYER AG (DE) 2020-12-17 US disclosed
WO-2018114596-A1 SUBSTITUTED HETEROARYL PYRROLONES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-06-28 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 (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-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES DDT, NOTUM, AGPS ALDH1A1 201/4885LMNA 3862/4885HPGD 81/4885

“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.