SCHEMBL21237220

SCHEMBL21237220

Cn1ncc2cc(NC(=O)c3cccc(C(C)(C)C)c3)ccc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 4/20 0.60
▸ MAOA P21397 2/20 0.60
▸ ACHE P22303 1/20 0.60
▸ NPC1 O15118 3/20 0.58
▸ RAB9A P51151 3/20 0.58
▸ ALDH1A1 P00352 1/20 0.58
▸ MAPT P10636 1/20 0.58
▸ HPGD P15428 1/20 0.58
▸ ALOX12 P18054 1/20 0.58
▸ HDAC8 Q9BY41 2/20 0.55
▸ HDAC6 Q9UBN7 2/20 0.55
▸ NR1H4 Q96RI1 1/20 0.52
▸ NOTUM Q6P988 1/20 0.48
▸ HDAC3 O15379 1/20 0.48
▸ LRRK2 Q5S007 1/20 0.47
▸ KCNK9 Q9NPC2 1/20 0.47
▸ MLLT1 Q03111 2/20 0.46
▸ BRAF P15056 2/20 0.46
▸ MAPK13 O15264 1/20 0.46
▸ KDR P35968 1/20 0.46

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
SCHEMBL21237216 0.91 HDAC8 (0.55) MAOBMAOAACHENPC1RAB9A
SCHEMBL19662760 0.85 NPC1 (0.64) MAOBMAOAACHENPC1RAB9A
SCHEMBL29510910 0.84 NPC1 (0.78) MAOBMAOAACHENPC1RAB9A
SCHEMBL24367775 0.82 MAOB (0.64) MAOBMAOAACHENPC1RAB9A
SCHEMBL21237370 0.77 EGFR (0.61) MAOAHDAC8HDAC6NR1H4HDAC3
SCHEMBL19662769 0.75 KMT2A (0.61) MAOBMAOAACHENPC1RAB9A
SCHEMBL15875716 0.75 MAOB (1.00) MAOBMAOAACHENPC1RAB9A
SCHEMBL15874997 0.75 MAOB (1.00) MAOBMAOAACHENPC1RAB9A
SCHEMBL16686040 0.75 NPC1 (0.63) MAOBMAOAACHENPC1RAB9A
SCHEMBL21237369 0.74 PABPC1 (0.69) NPC1RAB9AALDH1A1MAPTHDAC8

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-20220127265-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2022-04-28 — — US disclosed
US-11247989-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2022-02-15 — — US disclosed
US-20190241558-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2019-08-08 — — 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-11247989-B2 Therapeutic compounds and uses thereof EP300, HDAC1, CREBBP MAOB 2866/4885MAOA 3956/4885ACHE 4166/4885
US-20190241558-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, CREBBP MAOB 2866/4885MAOA 3956/4885ACHE 4166/4885
US-20220127265-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, CREBBP MAOB 2866/4885MAOA 3956/4885ACHE 4166/4885

“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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