SCHEMBL29376239

SCHEMBL29376239

[2H]c1cn(-c2cccc(N3CCOCC3)c2)nn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.45
▸ KMO O15229 1/20 0.44
▸ MAPK8 P45983 1/20 0.44
▸ MAPK10 P53779 1/20 0.44
▸ DHFR P00374 1/20 0.43
▸ AGXT P21549 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ MAPT P10636 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ PLOD2 O00469 2/20 0.40
▸ PLOD3 O60568 2/20 0.40
▸ PLOD1 Q02809 2/20 0.40
▸ AKR1C3 P42330 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ NOTUM Q6P988 1/20 0.38

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
SCHEMBL29379034 0.86 MAPT (0.47) LMNAMAPK8MAPK10ALDH1A1MEN1
SCHEMBL29471927 0.85 MAPK8 (0.56) LMNAKMOMAPK8MAPK10DHFR
SCHEMBL27329825 0.78 LMNA (0.71) LMNAKMODHFRAGXTALDH1A1
SCHEMBL14961830 0.75 HTT (0.56) LMNAKMODHFRAGXTALDH1A1
SCHEMBL22466259 0.72 LMNA (0.46) LMNAKMODHFRAGXTALDH1A1
SCHEMBL31588063 0.72 NOTUM (0.45) LMNAALDH1A1MEN1KMT2AMAPT
SCHEMBL29378783 0.72 HSD17B1 (0.45) LMNAALDH1A1MEN1KMT2ANPC1
SCHEMBL29379236 0.70 NOTUM (0.47) ALDH1A1MAPTHTTNOTUMKEAP1
SCHEMBL14961831 0.69 LMNA (0.53) LMNAKMODHFRAGXTALDH1A1
SCHEMBL18726009 0.69 NOTUM (0.55) MAPK8MAPK10NOTUMKEAP1

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 LMNA 2811/4885KMO 1484/4885MAPK8 4253/4885

“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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