SCHEMBL24853577

SCHEMBL24853577

CCCCCCn1nc(Cl)c2cccc(Oc3ncc(Cl)cn3)c21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 2/20 0.37
▸ MPO P05164 3/20 0.37
▸ SLC9A1 P19634 3/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ CNR2 P34972 3/20 0.33
▸ CNR1 P21554 2/20 0.33
▸ ACHE P22303 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ TNF P01375 1/20 0.32
▸ LITAF Q99732 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ SMPD1 P17405 1/20 0.31

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
SCHEMBL24854520 0.99 ESR1 (0.38) ESR1MPOSLC9A1CYP1A2CYP3A4
SCHEMBL24854022 0.91 ESR1 (0.39) ESR1MPOCYP1A2CYP3A4CYP2D6
SCHEMBL24853567 0.88 CYP1A2 (0.32) CYP1A2CYP3A4CYP2D6CYP2C19L3MBTL1
SCHEMBL24854032 0.87 CYP1A2 (0.34) ESR1MPOCYP1A2CYP3A4CYP2D6
SCHEMBL24853761 0.85 CYP1A2 (0.34) CYP1A2CYP3A4CYP2D6CYP2C19L3MBTL1
SCHEMBL24854239 0.85 CYP1A2 (0.33) ESR1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL24854064 0.84 MPO (0.37) MPOCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL24853776 0.83 CYP1A2 (0.31) CYP1A2CYP3A4CYP2D6CYP2C19L3MBTL1
SCHEMBL23370304 0.83 CYP1A2 (0.33) ESR1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL24853772 0.83 CYP1A2 (0.34) CYP1A2CYP3A4CYP2D6CYP2C19L3MBTL1

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-20230002357-A1 7-PYRIMIDINE-2-YL-OXY-INDAZOLE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA CROP PROTECTION AG (CH) 2023-01-05 — — 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-20230002357-A1 7-PYRIMIDINE-2-YL-OXY-INDAZOLE DERIVATIVES AND THEIR USE AS HERBICIDES AZI2, PDXK, DPYD ESR1 4145/4885MPO 2481/4885SLC9A1 1836/4885

“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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