SCHEMBL29379034

SCHEMBL29379034

[2H]c1cn(-c2ccc(N3CCOCC3)cc2)nn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.47
▸ ALDH1A1 P00352 7/20 0.47
▸ HTT P42858 4/20 0.47
▸ MEN1 O00255 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ NPC1 O15118 3/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ KDM4E B2RXH2 7/20 0.46
▸ HSD17B10 Q99714 4/20 0.46
▸ TP53 P04637 4/20 0.46
▸ ALOX15 P16050 2/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ USP2 O75604 1/20 0.46
▸ LMNA P02545 2/20 0.43
▸ HPGD P15428 3/20 0.41
▸ MAPK8 P45983 1/20 0.41
▸ MAPK10 P53779 1/20 0.41
▸ EP300 Q09472 1/20 0.41
▸ KAT2B Q92831 1/20 0.41

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
SCHEMBL29376239 0.86 LMNA (0.45) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL29378534 0.73 MAPT (0.50) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL9093746 0.73 LMNA (0.71) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL29379236 0.72 NOTUM (0.47) MAPTALDH1A1HTTHSD17B10HPGD
SCHEMBL27448322 0.70 NOTUM (0.55) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL29471927 0.70 MAPK8 (0.56) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL22466191 0.68 MAPT (0.49) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL2175616 0.67 LMNA (0.62) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL14527010 0.67 NOTUM (0.56) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL28982648 0.66 LMNA (0.68) MAPTALDH1A1HTTMEN1KMT2A

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 MAPT 2876/4885ALDH1A1 2041/4885HTT 3526/4885

“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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