SCHEMBL13067164

SCHEMBL13067164

Cn1nc2ccccc2c1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 1/20 0.49
▸ SLC9A1 P19634 1/20 0.42
▸ KEAP1 Q14145 1/20 0.42
▸ MAOA P21397 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MPO P05164 7/20 0.39
▸ SLC2A1 P11166 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ NOS1 P29475 1/20 0.38
▸ PDE4A P27815 1/20 0.38
▸ PDE4B Q07343 1/20 0.38
▸ PDE4C Q08493 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ GPR3 P46089 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37

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
SCHEMBL29602832 0.76 ESR2 (0.50) ESR2MAOAMAOBSMN1; SMN2MPO
SCHEMBL2914480 0.76 MAPT (0.46) SLC9A1KEAP1MAOASMN1; SMN2MPO
SCHEMBL147219 0.76 SLC9A1 (0.43) SLC9A1KEAP1MPOSLC2A1ATM
SCHEMBL25236329 0.75 ALDH1A1 (0.38) SLC9A1KEAP1MPOSLC2A1GPR3
SCHEMBL17831574 0.74 MPO (0.42) SLC9A1KEAP1MPOSLC2A1ATM
SCHEMBL2673505 0.74 SLC9A1 (0.42) SLC9A1KEAP1MPOSLC2A1ATM
SCHEMBL25153638 0.74 MPO (0.45) ESR2SLC9A1KEAP1MAOAMAOB
SCHEMBL23028448 0.74 LMNA (0.46) SLC2A1KDM4E
SCHEMBL7580249 0.72 KDM5A (0.48) SLC9A1KEAP1SMN1; SMN2MPOSLC2A1
SCHEMBL17396098 0.72 KDM4E (0.41) SMN1; SMN2ATMKDM4ETSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230049719-A1 PYRAZOLO[3,4-B]PYRAZINE SHP2 PHOSPHATASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2023-02-16 — — US disclosed
US-20220386614-A1 OXADIAZOLINE COMPOUND OR SALTS THEREOF, AGRICULTURAL AND HORTICULTURAL BACTERICIDE CONTAINING SAID COMPOUND, AND METHOD FOR USING SAME NIHON NOHYAKU CO., LTD. (JP) 2022-12-08 — — US disclosed
WO-2010132999-A1 METHYL SULFANYL PYRMIDMES USEFUL AS ANTIINFLAMMATORIES, ANALGESICS, AND ANTIEPILEPTICS CHLORION PHARMA, INC. (CA) 2010-11-25 — — 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 (2 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-20220386614-A1 OXADIAZOLINE COMPOUND OR SALTS THEREOF, AGRICULTURAL AND HORTICULTURAL BACTERICIDE CONTAINING SAID COMPOUND, AND METHOD FOR USING SAME BROX, CYP51A1, TBCD ESR2 4552/4885SLC9A1 165/4885KEAP1 655/4885
US-20230049719-A1 PYRAZOLO[3,4-B]PYRAZINE SHP2 PHOSPHATASE INHIBITORS PTPN5, PTPRZ1, PTPN1 ESR2 2925/4885SLC9A1 2233/4885KEAP1 444/4885

“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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