SCHEMBL19732418

SCHEMBL19732418

CC(C)C(C)c1cccc(-n2cccn2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.42
▸ LMNA P02545 3/20 0.42
▸ IDH1 O75874 1/20 0.41
▸ TRPV3 Q8NET8 1/20 0.40
▸ ERCC1 P07992 1/20 0.40
▸ ERCC4 Q92889 1/20 0.40
▸ KDM5B Q9UGL1 1/20 0.40
▸ POLB P06746 2/20 0.39
▸ RXRA P19793 2/20 0.39
▸ GRIN1 Q05586 2/20 0.39
▸ GRIN2B Q13224 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ SOS1 Q07889 1/20 0.37
▸ KAT6A Q92794 1/20 0.37
▸ LRRK2 Q5S007 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ GAA P10253 1/20 0.36

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
SCHEMBL9888714 0.87 RXRA (0.47) NOTUMLMNAIDH1TRPV3ERCC1
SCHEMBL29337465 0.84 LMNA (0.45) NOTUMLMNAIDH1TRPV3ERCC1
SCHEMBL18793689 0.84 NOTUM (0.42) NOTUMLMNAIDH1TRPV3ERCC1
SCHEMBL5888585 0.84 LMNA (0.45) NOTUMLMNAIDH1TRPV3ERCC1
SCHEMBL19368257 0.81 NOTUM (0.55) NOTUMKDM5BPOLBMAPK1KDM4E
SCHEMBL25611001 0.81 MAPT (0.43) NOTUMLMNAIDH1TRPV3ERCC1
SCHEMBL5934873 0.78 NOTUM (0.57) NOTUMLMNAERCC1ERCC4MAPK1
Hydrochloric Acid SCHEMBL6006151 0.77 NOTUM (0.55) NOTUMLMNAERCC1ERCC4MAPK1
SCHEMBL29675979 0.76 LMNA (0.47) LMNAIDH1KAT6ALRRK2
SCHEMBL254441 0.74 TP53 (0.49) NOTUMLMNAERCC1ERCC4RXRA

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-10316017-B2 COT modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2019-06-11 — — US disclosed
US-20170362201-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2017-12-21 — — 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-20170362201-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS NOTUM 2183/4885LMNA 3781/4885IDH1 822/4885
US-10316017-B2 COT modulators and methods of use thereof BRDT, THRB, HCCS NOTUM 2183/4885LMNA 3781/4885IDH1 822/4885

“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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