SCHEMBL11903314

SCHEMBL11903314

COC(=O)c1nc(Cl)nc([As](C)c2ccco2)c1I

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 5/20 0.35
▸ LMNA P02545 3/20 0.35
▸ MAPT P10636 3/20 0.35
▸ CFTR P13569 1/20 0.34
▸ KDM4E B2RXH2 4/20 0.33
▸ TSHR P16473 3/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ CRHBP P24387 1/20 0.33
▸ CRHR2 Q13324 1/20 0.33
▸ RAB9A P51151 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ CACNA1B Q00975 1/20 0.32
▸ APBA1 Q02410 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ HSP90AA1 P07900 1/20 0.32
▸ HSP90AB1 P08238 1/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ ADORA1 P30542 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
SCHEMBL1653862 0.72 HSD17B10 (0.34) HSD17B10LMNAMAPTCFTRKDM4E
SCHEMBL1653865 0.71 SMN1; SMN2 (0.47) HSD17B10LMNAMAPTKDM4ETSHR
SCHEMBL11903315 0.71 TSHR (0.39) HSD17B10LMNAMAPTKDM4ETSHR
SCHEMBL719555 0.68 NPSR1 (0.48) HSD17B10MAPTKDM4ERAB9AALDH1A1
SCHEMBL29352298 0.68 NPSR1 (0.48) HSD17B10MAPTKDM4ERAB9AALDH1A1
SCHEMBL10255541 0.66 NPSR1 (0.47) KDM4EALDH1A1NPSR1SMN1; SMN2
SCHEMBL12338199 0.66 NPSR1 (0.47) HSD17B10LMNAMAPTKDM4EKMT2A
SCHEMBL3792082 0.66 NPSR1 (0.47) KDM4EALDH1A1NPSR1SMN1; SMN2
SCHEMBL719803 0.65 NPSR1 (0.45) HSD17B10KDM4EALDH1A1HPGDNPSR1
SCHEMBL30959691 0.65 PIN1 (0.46) HSD17B10LMNAMAPTTSHRKMT2A

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-20120202690-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (US) 2012-08-09 — — 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-20120202690-A1 HERBICIDAL COMPOUNDS DDT, HAO2, HAAO HSD17B10 171/4885LMNA 4587/4885MAPT 4272/4885

“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.

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