SCHEMBL18367692

SCHEMBL18367692

C=C(C)Nc1cccc(C(C)(C)C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.54
HDAC3 O15379 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
P2RX1 P51575 1/20 0.48
KCNJ6 P48051 1/20 0.48
KCNJ5 P48544 1/20 0.48
KCNJ3 P48549 1/20 0.48
RAF1 P04049 1/20 0.46
KCNK9 Q9NPC2 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
NFKB1 P19838 1/20 0.42
RAB9A P51151 1/20 0.42
NFKB2 Q00653 1/20 0.42

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
SCHEMBL19766263 0.84 L3MBTL1 (0.61) SMN1; SMN2L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL1689404 0.81 HDAC3 (0.62) HDAC8HDAC3HDAC6P2RX1KCNJ6
SCHEMBL6483594 0.80 HDAC8 (0.60) HDAC8HDAC3HDAC6P2RX1KCNJ6
SCHEMBL4979670 0.79 HDAC8 (0.55) HDAC8HDAC3HDAC6P2RX1KCNJ6
SCHEMBL32675964 0.79 RAF1 (0.65) HDAC8HDAC3HDAC6P2RX1KCNJ6
SCHEMBL1521780 0.79 HDAC3 (0.52) HDAC8HDAC3HDAC6P2RX1KCNJ6
SCHEMBL2093458 0.78 HDAC8 (0.62) HDAC8HDAC3HDAC6P2RX1KCNJ6
Bromide SCHEMBL5461571 0.78 HDAC8 (0.54) HDAC8HDAC3HDAC6P2RX1KCNJ6
SCHEMBL30695893 0.78 HDAC8 (0.62) HDAC8HDAC3HDAC6P2RX1KCNJ6
SCHEMBL2093456 0.78 HDAC8 (0.62) HDAC8HDAC3HDAC6P2RX1KCNJ6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11827662-B2 Cot modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2023-11-28 US disclosed
US-20230303544-A1 LMO2 PROTEIN INHIBITORS UNIV OF OXFORD (GB) 2023-09-28 US disclosed
US-20170362201-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2017-12-21 US disclosed
US-9815818-B2 Cot modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2017-11-14 US disclosed
US-20170008873-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2017-01-12 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 (4 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-20170362201-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS HDAC8 1199/4885HDAC3 1346/4885HDAC6 1192/4885
US-20230303544-A1 LMO2 PROTEIN INHIBITORS LMNB2, LMNB1, TPX2 HDAC8 3885/4885HDAC3 2502/4885HDAC6 2877/4885
US-11827662-B2 Cot modulators and methods of use thereof BRDT, THRB, HCCS HDAC8 1199/4885HDAC3 1346/4885HDAC6 1192/4885
US-20170008873-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS HDAC8 1199/4885HDAC3 1346/4885HDAC6 1192/4885

“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.