SCHEMBL10238015

SCHEMBL10238015

O=C1C(c2nc(-c3ccc(Cl)cc3)sc2Cl)C(=O)[C@H]2CC[C@@H]1C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ NOTUM Q6P988 2/20 0.37
▸ KDM4E B2RXH2 3/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ GAA P10253 2/20 0.36
▸ ACHE P22303 2/20 0.36
▸ MGAM O43451 1/20 0.36
▸ SI P14410 1/20 0.36
▸ MGAM2 Q2M2H8 1/20 0.36
▸ ADORA3 P0DMS8 1/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ ADORA2B P29275 1/20 0.35
▸ ADORA1 P30542 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ MAPT P10636 2/20 0.33
▸ CASP3 P42574 1/20 0.33

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
SCHEMBL10238001 0.87 ALDH1A1 (0.39) ALDH1A1KMT2ANOTUMKDM4ERAB9A
SCHEMBL10237934 0.87 RAB9A (0.40) ALDH1A1KMT2ANOTUMKDM4ERAB9A
SCHEMBL16215992 0.84 HRH3 (0.41) ALDH1A1KMT2AKDM4ERAB9ASMN1; SMN2
SCHEMBL608047 0.84 HRH3 (0.41) ALDH1A1KMT2AKDM4ERAB9ASMN1; SMN2
SCHEMBL10237937 0.84 HRH3 (0.41) ALDH1A1KMT2AKDM4ERAB9ASMN1; SMN2
SCHEMBL10237969 0.79 SMN1; SMN2 (0.46) ALDH1A1KMT2AKDM4ERAB9ASMN1; SMN2
SCHEMBL10237965 0.76 RARA (0.31) ALDH1A1KMT2AKDM4EGAAMAPT
SCHEMBL10237991 0.76 GFER (0.46) KMT2AKDM4ERAB9ASMN1; SMN2NPC1
SCHEMBL10237919 0.76 RAB9A (0.38) ALDH1A1KDM4ERAB9ASMN1; SMN2NPC1
SCHEMBL610116 0.76 GFER (0.46) KMT2AKDM4ERAB9ASMN1; SMN2NPC1

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
EP-2176222-B1 NOVEL HERBICIDES SYNGENTA LTD (GB) 2014-11-05 — — EP disclosed
US-8541594-B2 — — 2013-09-24 — — US disclosed
US-8541594-B2 — — 2013-09-24 — — US disclosed
US-20120040826-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2012-02-16 — — US disclosed
US-20120040826-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2012-02-16 — — 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-20120040826-A1 NOVEL HERBICIDES DDT, HDHD5, DDC ALDH1A1 294/4885KMT2A 752/4885NOTUM 166/4885

“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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