SCHEMBL22280319

SCHEMBL22280319

CC(C)c1ccc2ncc(C(N)=O)nc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ NPC1 O15118 4/20 0.39
▸ RAB9A P51151 4/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ SCN4A P35499 1/20 0.39
▸ EGLN1 Q9GZT9 1/20 0.39
▸ TYR P14679 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ GRM2 Q14416 3/20 0.38
▸ OGA O60502 1/20 0.37
▸ SCN10A Q9Y5Y9 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ GRN P28799 1/20 0.36

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
SCHEMBL22672598 0.86 ALDH1A1 (0.56) ALDH1A1HPGDALOX15HSD17B10NPC1
SCHEMBL7448063 0.86 TGFBR1 (0.47) TGFBR1ALDH1A1HPGDALOX15HSD17B10
SCHEMBL22214078 0.78 SCN9A (0.41) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL22955472 0.76 TGFBR1 (0.49) TGFBR1ALDH1A1HPGDALOX15HSD17B10
SCHEMBL19966737 0.76 HPGDS (0.50) NPC1RAB9ASMN1; SMN2SCN4AEGLN1
SCHEMBL22797574 0.74 LCK (0.48) NPC1RAB9ASMN1; SMN2SCN4AMAPT
SCHEMBL10199295 0.74 NPC1 (0.41) ALDH1A1ALOX15HSD17B10NPC1RAB9A
SCHEMBL14652456 0.74 NPC1 (0.41) ALDH1A1HSD17B10NPC1RAB9ASMN1; SMN2
SCHEMBL851358 0.73 ALDH1A1 (0.69) TGFBR1ALDH1A1HPGDALOX15HSD17B10
SCHEMBL29540343 0.73 ALDH1A1 (0.69) TGFBR1ALDH1A1HPGDALOX15HSD17B10

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-20220064187-A1 SUBSTITUTED IMIDAZOLES FOR THE INHIBITION OF TGF-BETA AND METHODS OF TREATMENT Clavius Pharmaceuticals, LLC. 2022-03-03 — — US disclosed
US-11124509-B2 Tri-substituted imidazoles for the inhibition of TGF beta and methods of treatment Clavius Pharmaceuticals, LLC. (US) 2021-09-21 — — US disclosed
US-20200239462-A1 TRI-SUBSTITUTED IMIDAZOLES FOR THE INHIBITION OF TGF BETA AND METHODS OF TREATMENT CLAVIUS PHARMACEUTICALS, LLC 2020-07-30 — — 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 (3 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-11124509-B2 Tri-substituted imidazoles for the inhibition of TGF beta and methods of treatment TGFB1, TGFBR1, TGFB2 TGFBR1 2/4885ALDH1A1 1635/4885HPGD 1177/4885
US-20220064187-A1 SUBSTITUTED IMIDAZOLES FOR THE INHIBITION OF TGF-BETA AND METHODS OF TREATMENT TGFB1, TGFBR1, TGFB2 TGFBR1 2/4885ALDH1A1 2833/4885HPGD 3347/4885
US-20200239462-A1 TRI-SUBSTITUTED IMIDAZOLES FOR THE INHIBITION OF TGF BETA AND METHODS OF TREATMENT TGFB1, TGFBR1, TGFB2 TGFBR1 2/4885ALDH1A1 1635/4885HPGD 1177/4885

“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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