SCHEMBL21237227

SCHEMBL21237227

CC(C)c1cccc(C(=O)Nc2ccc(-n3ccnc3)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GFER P55789 1/20 0.57
▸ ABL1 P00519 1/20 0.56
▸ KMT2A Q03164 1/20 0.55
▸ BRAF P15056 1/20 0.55
▸ ACP1 P24666 1/20 0.52
▸ NPC1 O15118 2/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ CASP3 P42574 1/20 0.51
▸ SENP8 Q96LD8 1/20 0.51
▸ SENP7 Q9BQF6 1/20 0.51
▸ SENP6 Q9GZR1 1/20 0.51
▸ TP53 P04637 1/20 0.51
▸ ROCK1 Q13464 1/20 0.51
▸ DNMT3B Q9UBC3 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ ROCK2 O75116 1/20 0.49
▸ CBLB Q13191 1/20 0.48
▸ PORCN Q9H237 2/20 0.48
▸ HTT P42858 1/20 0.48

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
SCHEMBL19662750 0.84 NT5E (0.65) GFERABL1KMT2ABRAFNPC1
SCHEMBL7118764 0.82 ABL1 (0.59) GFERABL1KMT2AACP1ROCK1
SCHEMBL19663327 0.82 ABL1 (0.59) GFERABL1KMT2AACP1RAB9A
SCHEMBL21237217 0.81 HDAC8 (0.59) GFERABL1KMT2ATP53ROCK1
SCHEMBL12057348 0.81 NT5E (0.67) KMT2ABRAFNPC1RAB9ASMN1; SMN2
SCHEMBL3380451 0.81 MAPT (0.63) ABL1KMT2AACP1RAB9ASMN1; SMN2
SCHEMBL23844170 0.79 NPC1 (0.76) KMT2ABRAFNPC1RAB9ASMN1; SMN2
SCHEMBL22661803 0.79 CYP3A4 (0.64) ABL1KMT2AROCK1TDP1PORCN
SCHEMBL25135525 0.79 ABL1 (0.71) ABL1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL12017613 0.78 BRAF (0.79) KMT2ABRAFNPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (2 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 GFER 4358/4885ABL1 519/4885KMT2A 254/4885
US-20190241558-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, CREBBP GFER 4358/4885ABL1 519/4885KMT2A 254/4885

“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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