SCHEMBL3020159

SCHEMBL3020159

O=S=Nc1ccc(Cl)c(C(=O)Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.37
▸ TP53 P04637 1/20 0.37
▸ TDP1 Q9NUW8 3/20 0.36
▸ MAPK1 P28482 3/20 0.36
▸ HTR3E A5X5Y0 2/20 0.36
▸ HTR3B O95264 2/20 0.36
▸ HTR3A P46098 2/20 0.36
▸ HTR3D Q70Z44 2/20 0.36
▸ HTR3C Q8WXA8 2/20 0.36
▸ TSHR P16473 1/20 0.34
▸ RAB9A P51151 3/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ ITGB3 P05106 1/20 0.33
▸ ITGAV P06756 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ EPHX1 P07099 1/20 0.32
▸ EPHX2 P34913 1/20 0.32
▸ CES2 O00748 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
SCHEMBL11884015 0.85 TSHR (0.37) ALDH1A1TDP1MAPK1HTR3EHTR3B
SCHEMBL10478101 0.82 MEN1 (0.47) ALDH1A1TP53TDP1MAPK1HTR3E
SCHEMBL27637733 0.81 ALDH1A1 (0.39) ALDH1A1TP53TDP1MAPK1HTR3E
SCHEMBL28260621 0.71 KMT2A (0.63) ALDH1A1TP53TSHRRAB9ANPC1
SCHEMBL28260620 0.71 KMT2A (0.63) ALDH1A1TP53TSHRRAB9ANPC1
SCHEMBL699001 0.71 ALDH1A1 (0.68) ALDH1A1TP53TDP1MAPK1TSHR
SCHEMBL3019453 0.70 ALDH1A1 (0.43) ALDH1A1TDP1TSHRRAB9ANPC1
SCHEMBL9618406 0.70 TSHR (0.45) ALDH1A1TP53TDP1TSHRRAB9A
SCHEMBL5183277 0.70 ALDH1A1 (0.42) ALDH1A1TP53TDP1MAPK1TSHR
SCHEMBL17142429 0.70 HSD17B10 (0.52) ALDH1A1TP53TSHRPOLBCES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8389767-B2 Processes and compounds SYNGENTA CROP PROTECTION LLC (US) 2013-03-05 — — US claimed
US-20100204504-A1 NOVEL PROCESSES AND COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-08-12 — — US claimed
EP-2183212-A1 NOVEL PROCESSES AND COMPOUNDS Syngenta Participations AG (CH) 2010-05-12 — — EP claimed
WO-2009030457-A1 NOVEL PROCESSES AND COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2009-03-12 — — WO claimed
US-8389767-B2 Processes and compounds SYNGENTA CROP PROTECTION LLC (US) 2013-03-05 — — US disclosed
US-20100204504-A1 NOVEL PROCESSES AND COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-08-12 — — 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-20100204504-A1 NOVEL PROCESSES AND COMPOUNDS DDT, CYP4B1, CYP4F3 ALDH1A1 351/4885TP53 4488/4885TDP1 2351/4885

“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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