SCHEMBL18233027

SCHEMBL18233027

CC(C)(C)c1cc(NC(=O)Nc2ccccc2)c[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 3/20 0.54
▸ KMT2A Q03164 8/20 0.54
▸ RAB9A P51151 8/20 0.54
▸ MEN1 O00255 7/20 0.54
▸ NPC1 O15118 6/20 0.54
▸ SMN1; SMN2 Q16637 4/20 0.53
▸ TP53 P04637 2/20 0.53
▸ EPHX1 P07099 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ EPHX2 P34913 1/20 0.53
▸ CDK9 P50750 1/20 0.53
▸ CLK4 Q9HAZ1 1/20 0.53
▸ TAAR1 Q96RJ0 3/20 0.49
▸ CASP3 P42574 1/20 0.47
▸ SENP7 Q9BQF6 1/20 0.47
▸ MAPT P10636 6/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ FLT3 P36888 1/20 0.46
▸ MAOA P21397 2/20 0.46
▸ MAOB P27338 2/20 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
SCHEMBL18233018 0.81 NPC1 (0.47) MAPK14KMT2ARAB9AMEN1NPC1
SCHEMBL18236215 0.80 SMN1; SMN2 (0.61) KMT2ARAB9AMEN1NPC1SMN1; SMN2
SCHEMBL18407357 0.80 KCNK9 (0.52) MAPK14KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL18233005 0.76 SMN1; SMN2 (0.50) MAPK14KMT2ARAB9AMEN1NPC1
SCHEMBL18233055 0.75 MAPK14 (0.54) MAPK14KMT2ARAB9AMEN1NPC1
SCHEMBL18415224 0.75 SMN1; SMN2 (0.53) MAPK14KMT2ARAB9AMEN1NPC1
SCHEMBL23719154 0.74 TP53 (0.57) KMT2ARAB9AMEN1NPC1SMN1; SMN2
Diphenylurea SCHEMBL133103 0.73 SMN1; SMN2 (1.00) KMT2ARAB9AMEN1NPC1SMN1; SMN2
SCHEMBL17072026 0.73 EPHX2 (0.74) KMT2ARAB9AMEN1NPC1SMN1; SMN2
SCHEMBL22328231 0.73 SMN1; SMN2 (0.50) MAPK14KMT2ARAB9AMEN1NPC1

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-20170022150-A1 HEPATITIS B ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2017-01-26 — — US disclosed
US-20160332996-A1 Hepatitis B Antiviral Agents ENANTA PHARMACEUTICALS, INC. 2016-11-17 — — 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-20170022150-A1 HEPATITIS B ANTIVIRAL AGENTS HAVCR2, ZC3HAV1, SLC10A1 MAPK14 3251/4885KMT2A 2231/4885RAB9A 1332/4885
US-20160332996-A1 Hepatitis B Antiviral Agents ZC3HAV1, ZC3HAV1L, HAVCR2 MAPK14 3101/4885KMT2A 2729/4885RAB9A 1062/4885

“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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