SCHEMBL29378783

SCHEMBL29378783

[2H]c1cn(-c2cccc(O)c2)nn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B1 P14061 2/20 0.45
▸ HSD17B2 P37059 2/20 0.45
▸ NOTUM Q6P988 3/20 0.44
▸ KEAP1 Q14145 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HSD17B13 Q7Z5P4 1/20 0.38
▸ FGFR1 P11362 1/20 0.37
▸ OPRD1 P41143 3/20 0.37
▸ CA12 O43570 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CA5A P35218 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ CA14 Q9ULX7 1/20 0.37
▸ CA5B Q9Y2D0 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
SCHEMBL11410355 0.82 NOTUM (0.64) HSD17B1HSD17B2NOTUMKEAP1SMN1; SMN2
Hydrochloric Acid SCHEMBL31245632 0.81 NOTUM (0.62) HSD17B1HSD17B2NOTUMKEAP1SMN1; SMN2
SCHEMBL31588063 0.79 NOTUM (0.45) NOTUMKEAP1MEN1KMT2AALDH1A1
SCHEMBL29378534 0.78 MAPT (0.50) HSD17B1HSD17B2NOTUMMEN1KMT2A
SCHEMBL29379236 0.77 NOTUM (0.47) NOTUMKEAP1ALDH1A1CYP3A4HSD17B10
Formic Acid SCHEMBL31245634 0.76 NOTUM (0.59) HSD17B1HSD17B2NOTUMKEAP1SMN1; SMN2
SCHEMBL29378354 0.73 NOTUM (0.47) NOTUMKEAP1
SCHEMBL29376239 0.72 LMNA (0.45) NOTUMKEAP1SMN1; SMN2MEN1KMT2A
SCHEMBL1960697 0.71 MAPT (0.61) NOTUMSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL29556202 0.71 MAPT (0.61) NOTUMSMN1; SMN2MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220041578-A1 ISOINDOLINE COMPOUND, AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION, AND APPLICATION OF ISOINDOLINE COMPOUND SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2022-02-10 — — 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 (1 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-20220041578-A1 ISOINDOLINE COMPOUND, AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION, AND APPLICATION OF ISOINDOLINE COMPOUND CRBN, CUL4B, UBQLN1 HSD17B1 1010/4885HSD17B2 1297/4885NOTUM 4254/4885

“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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