SCHEMBL12880099

SCHEMBL12880099

Cn1c(CC(=O)NC(C)(C)C)nc2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.60
▸ ALDH1A1 P00352 2/20 0.57
▸ HDAC6 Q9UBN7 1/20 0.55
▸ TSHR P16473 1/20 0.53
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ RECQL P46063 1/20 0.51
▸ NPC1 O15118 6/20 0.50
▸ RAB9A P51151 6/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ LMNA P02545 2/20 0.50
▸ POLB P06746 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ KDM4E B2RXH2 2/20 0.49
▸ PKM P14618 1/20 0.49
▸ TP53 P04637 1/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ NFKB1 P19838 1/20 0.49
▸ NFKB2 Q00653 1/20 0.49
▸ RELA Q04206 1/20 0.49

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
SCHEMBL10035832 0.84 HDAC6 (0.58) MAPTALDH1A1HDAC6TSHRMEN1
SCHEMBL17933571 0.79 HDAC6 (0.72) MAPTALDH1A1HDAC6TSHRKMT2A
SCHEMBL13649430 0.78 HDAC6 (0.61) MAPTALDH1A1HDAC6TSHRMEN1
SCHEMBL7018296 0.76 RAB9A (0.58) MAPTALDH1A1HDAC6TSHRMEN1
SCHEMBL2937868 0.75 MAPT (0.72) MAPTALDH1A1HDAC6TSHRMEN1
SCHEMBL8118484 0.75 MAPT (1.00) MAPTALDH1A1HDAC6TSHRMEN1
SCHEMBL13958841 0.75 NPC1 (0.65) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL8401361 0.73 MAPT (0.69) MAPTHDAC6TSHRMEN1KMT2A
SCHEMBL16133680 0.73 ALDH1A1 (1.00) MAPTALDH1A1HDAC6TSHRRECQL
SCHEMBL14817989 0.73 MEN1 (0.67) MAPTALDH1A1TSHRMEN1KMT2A

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-20110028509-A1 Sulfonamides MERCK SERONO SA (CH) 2011-02-03 — — 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-20110028509-A1 Sulfonamides CXCR3, CXCR2, CXCR1 MAPT 4698/4885ALDH1A1 716/4885HDAC6 888/4885

“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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