SCHEMBL17224648

SCHEMBL17224648

O=C(c1ccccc1)n1ccc(-c2ccccc2)n1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.68
▸ SMN1; SMN2 Q16637 4/20 0.68
▸ RAB9A P51151 3/20 0.68
▸ HPGD P15428 3/20 0.68
▸ KDM4E B2RXH2 2/20 0.68
▸ NPC1 O15118 2/20 0.68
▸ NFKB1 P19838 1/20 0.68
▸ NFKB2 Q00653 1/20 0.68
▸ RELA Q04206 1/20 0.68
▸ TDP1 Q9NUW8 1/20 0.63
▸ L3MBTL1 Q9Y468 1/20 0.63
▸ ALDH1A1 P00352 3/20 0.56
▸ MAPT P10636 2/20 0.56
▸ F2 P00734 4/20 0.55
▸ PLAU P00749 3/20 0.55
▸ ELANE P08246 3/20 0.55
▸ KLKB1 P03952 2/20 0.55
▸ SCN4A P35499 2/20 0.51
▸ SCN9A Q15858 2/20 0.48
▸ GRM5 P41594 2/20 0.44

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
SCHEMBL22341331 0.83 SCN4A (0.55) KMT2ASMN1; SMN2RAB9AHPGDKDM4E
SCHEMBL14027526 0.81 SCN4A (0.57) KMT2ASMN1; SMN2RAB9AHPGDKDM4E
SCHEMBL27795462 0.80 SCN4A (0.74) KMT2ASMN1; SMN2RAB9AHPGDKDM4E
SCHEMBL28553729 0.79 SMN1; SMN2 (0.47) KMT2ASMN1; SMN2RAB9AHPGDKDM4E
SCHEMBL28861208 0.76 PLAU (0.62) KMT2ASMN1; SMN2RAB9AHPGDKDM4E
SCHEMBL2181609 0.76 SCN4A (0.62) KMT2ASMN1; SMN2RAB9AHPGDKDM4E
SCHEMBL22492988 0.76 KMT2A (0.53) KMT2ASMN1; SMN2RAB9AHPGDKDM4E
SCHEMBL1224671 0.75 RAB9A (0.54) KMT2ASMN1; SMN2RAB9AHPGDKDM4E
SCHEMBL427240 0.75 SMN1; SMN2 (0.68) KMT2ASMN1; SMN2RAB9AHPGDKDM4E
SCHEMBL20954002 0.74 KMT2A (0.50) KMT2ASMN1; SMN2RAB9AHPGDKDM4E

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
US-10167262-B2 Herbicidal substituted 3-arylpyrazoles FMC CORPORATION (US) 2019-01-01 — — US disclosed
US-20170183312-A1 HERBICIDAL SUBSTITUTED 3-ARYLPYRAZOLES FMC CORPORATION 2017-06-29 — — US disclosed
WO-2015191377-A1 HERBICIDAL SUBSTITUTED 3-ARYLPYRAZOLES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2015-12-17 — — WO disclosed
WO-2015167795-A1 HERBICIDAL SUBSTITUTED 3-PHENYL-4-FLUOROBENZOYL PYRAZOLES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2015-11-05 — — WO disclosed
CN-1165482-A Pyrazole pharmaceutical compositions as protein kinase inhibitors COR THERAPEUTICS INC (US) 1997-11-19 — — CN 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-20170183312-A1 HERBICIDAL SUBSTITUTED 3-ARYLPYRAZOLES CYP1B1, CYP1A1, TYR KMT2A 3503/4885SMN1; SMN2 4542/4885RAB9A 3076/4885
US-10167262-B2 Herbicidal substituted 3-arylpyrazoles CYP1B1, CYP1A1, TYR KMT2A 3503/4885SMN1; SMN2 4542/4885RAB9A 3076/4885

“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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