SCHEMBL21237216

SCHEMBL21237216

Cn1ncc2ccc(NC(=O)c3cccc(C(C)(C)C)c3)cc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 2/20 0.55
▸ HDAC6 Q9UBN7 2/20 0.55
▸ NR1H4 Q96RI1 2/20 0.55
▸ MAOB P27338 3/20 0.52
▸ MAOA P21397 2/20 0.52
▸ ACHE P22303 1/20 0.52
▸ HDAC3 O15379 1/20 0.48
▸ NPC1 O15118 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ ALOX12 P18054 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ KCNK9 Q9NPC2 1/20 0.47
▸ BRAF P15056 2/20 0.46
▸ MAPK13 O15264 1/20 0.46
▸ KDR P35968 1/20 0.46
▸ MAPK12 P53778 1/20 0.46
▸ MAPK11 Q15759 1/20 0.46
▸ MAPK14 Q16539 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
SCHEMBL21237220 0.91 MAOB (0.60) HDAC8HDAC6NR1H4MAOBMAOA
SCHEMBL19662769 0.85 KMT2A (0.61) MAOBMAOAACHENPC1RAB9A
SCHEMBL19662795 0.84 MAOB (0.54) MAOBMAOAACHENPC1ALDH1A1
SCHEMBL21237370 0.77 EGFR (0.61) HDAC8HDAC6NR1H4MAOAHDAC3
SCHEMBL19662760 0.75 NPC1 (0.64) MAOBMAOAACHENPC1ALDH1A1
SCHEMBL30006626 0.75 MAPT (0.53) MAOBMAOAACHENPC1ALDH1A1
SCHEMBL4898390 0.75 TRPV1 (0.52) MAOBMAOAACHENPC1ALDH1A1
SCHEMBL29510910 0.74 NPC1 (0.78) MAOBMAOAACHENPC1ALDH1A1
SCHEMBL21237219 0.74 HDAC8 (0.63) HDAC8HDAC6NR1H4HDAC3NPC1
SCHEMBL17109843 0.74 HDAC6 (0.63) HDAC8HDAC6NR1H4HDAC3NPC1

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 HDAC8 51/4885HDAC6 22/4885NR1H4 1663/4885
US-20190241558-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, CREBBP HDAC8 51/4885HDAC6 22/4885NR1H4 1663/4885
US-20220127265-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, CREBBP HDAC8 51/4885HDAC6 22/4885NR1H4 1663/4885

“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.

Send feedback