SCHEMBL29546342

SCHEMBL29546342

CC1(C)N=C(N)N=C(N)N1OCCCOc1ccc(OC(F)(F)F)cc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DHFR P00374 15/20 0.71
SLC2A1 P11166 1/20 0.54

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
SCHEMBL14872561 1.00 DHFR (0.71) DHFRSLC2A1
SCHEMBL14870312 0.83 DHFR (0.77) DHFRSLC2A1
SCHEMBL8635467 0.81 DHFR (1.00) DHFRSLC2A1
SCHEMBL29579939 0.81 DHFR (1.00) DHFRSLC2A1
SCHEMBL8934057 0.73 DHFR (0.79) DHFRSLC2A1
Bromide SCHEMBL9396234 0.73 DHFR (0.66) DHFRSLC2A1
SCHEMBL13545909 0.72 PPARA (0.59)
Hydrochloric Acid SCHEMBL3146300 0.72 PPARA (0.53)
Bromide SCHEMBL8934281 0.72 DHFR (0.78) DHFRSLC2A1
SCHEMBL8934103 0.72 SLC2A1 (0.71) DHFRSLC2A1

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-11964944-B2 Compounds and methods for treating, detecting, and identifying compounds to treat apicomplexan parasitic diseases THE UNIVERSITY OF CHICAGO (US) 2024-04-23 US disclosed
US-11759441-B2 Biguanide compositions and methods of treating metabolic disorders ANJI PHARMACEUTICALS INC. (US) 2023-09-19 US disclosed
US-20230140413-A1 Compounds and Methods for Treating, Detecting, and Identifying Compounds to Treat Apicomplexan Parasitic Diseases THE UNIVERSITY OF CHICAGO 2023-05-04 US disclosed
US-11414385-B2 Compounds and methods for treating, detecting, and identifying compounds to treat apicomplexan parasitic diseases THE UNIVERSITY OF CHICAGO 2022-08-16 US disclosed
US-20220151957-A1 BIGUANIDE COMPOSITIONS AND METHODS OF TREATING METABOLIC DISORDERS ANJI PHARMACEUTICALS INC. 2022-05-19 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 (5 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-11964944-B2 Compounds and methods for treating, detecting, and identifying compounds to treat apicomplexan parasitic diseases TUBB1, MYADM, TUBB DHFR 71/4885SLC2A1 4114/4885
US-20230140413-A1 Compounds and Methods for Treating, Detecting, and Identifying Compounds to Treat Apicomplexan Parasitic Diseases TUBB1, MYADM, TUBB DHFR 71/4885SLC2A1 4114/4885
US-11414385-B2 Compounds and methods for treating, detecting, and identifying compounds to treat apicomplexan parasitic diseases TUBB1, MYADM, TUBB DHFR 70/4885SLC2A1 4082/4885
US-11759441-B2 Biguanide compositions and methods of treating metabolic disorders SLC5A2, SLC5A1, GPR119 DHFR 1080/4885SLC2A1 22/4885
US-20220151957-A1 BIGUANIDE COMPOSITIONS AND METHODS OF TREATING METABOLIC DISORDERS SLC5A2, SLC5A1, GPR119 DHFR 1080/4885SLC2A1 22/4885

“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.