SCHEMBL5747293

SCHEMBL5747293

N#CCC(C#N)NNc1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
ALDH1A1 P00352 3/20 0.40
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MRGPRX4 Q96LA9 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 1/20 0.35
PDE2A O00408 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HPGD P15428 2/20 0.35
POLB P06746 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
ACHE P22303 1/20 0.34
KIF11 P52732 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 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
SCHEMBL3326974 0.82 RAPGEF3 (0.34) MAPTALDH1A1MRGPRX4L3MBTL1MEN1
Hydrochloric Acid SCHEMBL6578052 0.75 MRGPRX4 (0.38) MAPTALDH1A1HTTSMN1; SMN2MRGPRX4
SCHEMBL9811171 0.75 ALDH1A1 (0.41) MAPTALDH1A1HTTSMN1; SMN2MRGPRX4
SCHEMBL5701320 0.74 MRGPRX4 (0.34) MAPTALDH1A1HTTSMN1; SMN2MRGPRX4
SCHEMBL3161607 0.73 ALDH1A1 (0.53) MAPTALDH1A1HTTSMN1; SMN2L3MBTL1
SCHEMBL10954025 0.73 ALDH1A1 (0.47) MAPTALDH1A1HTTSMN1; SMN2MRGPRX4
SCHEMBL10954291 0.73 ALDH1A1 (0.39) MAPTALDH1A1HTTSMN1; SMN2MRGPRX4
Hydrochloric Acid SCHEMBL5745586 0.72 ALDH1A1 (0.51) MAPTALDH1A1HTTSMN1; SMN2L3MBTL1
SCHEMBL10954628 0.71 PDE2A (0.46) MAPTALDH1A1HTTSMN1; SMN2MRGPRX4
SCHEMBL6576619 0.69 GAA (0.31) MAPTALDH1A1SMN1; SMN2KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7094906-B2 Processes for preparing pesticidal intermediates Basf Agro B.V. Arnthem (NL) Wädenswil-Branch (CH) 2006-08-22 US disclosed
EP-1073627-B1 PROCESSES FOR PREPARING PESTICIDAL INTERMEDIATES BAYER AGRICULTURE LTD (GB) 2004-12-01 EP disclosed
US-20040198985-A1 Processes for preparing pesticidal intermediates AVENTIS AGRICULTURE LTD. (GB) 2004-10-07 US disclosed
US-6673956-B2 INTERMEDIATES (PARTICULARLY 2-(ARYLHYDRAZINO)SUCCINONITRILE COMPOUNDS AND 3-(ARYLHYDRAZONO)PROPIONITRILE DERIVATIVES FOR PESTICIDES, BY REACTING DIALKOXYPROPIONITRILE WITH AN ACID ADDITION SALT OF ARYLHYDRAZINE AVENTIS AGRICULTURE LTD. (GB) 2004-01-06 US disclosed
US-20020128485-A1 Processes for preparing pesticidal intermediates MERIAL LIMITED 2002-09-12 US disclosed
US-6392081-B1 REACTING A NITRILE COMPOUND CONTAINING ACTAL GROUPS WITH ARYLHYDRAZINE; OXIDATION AVENTIS AGRICULTURE LTD. (GB) 2002-05-21 US disclosed
EP-1073627-A1 PROCESSES FOR PREPARING PESTICIDAL INTERMEDIATES AVENTIS AGRICULTURE LTD. (GB) 2001-02-07 EP disclosed
WO-1999054288-A1 PROCESSES FOR PREPARING PESTICIDAL INTERMEDIATES AVENTIS AGRICULTURE LTD. (GB) 1999-10-28 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-20040198985-A1 Processes for preparing pesticidal intermediates SFXN3, SFXN1, CYP4F3 MAPT 4852/4885ALDH1A1 3068/4885HTT 3819/4885
US-20020128485-A1 Processes for preparing pesticidal intermediates CBR3, HCN1, SF3A3 MAPT 4862/4885ALDH1A1 2835/4885HTT 3475/4885

“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.