SCHEMBL4154983

SCHEMBL4154983

CC(C)(C)N(C(=O)O)c1cc2ccccc2c(Br)n1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.41
KDM4E B2RXH2 5/20 0.40
ALDH1A1 P00352 5/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
HPGD P15428 3/20 0.40
GLA P06280 2/20 0.40
HSD17B10 Q99714 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
RXFP1 Q9HBX9 1/20 0.38
ADORA3 P0DMS8 3/20 0.35
PKM P14618 1/20 0.34
MAPT P10636 2/20 0.33
GAA P10253 1/20 0.32
RECQL P46063 1/20 0.32
TACR3 P29371 1/20 0.32

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
SCHEMBL20296817 0.81 MEN1 (0.43) TRPM8KDM4EALDH1A1MEN1KMT2A
SCHEMBL20304513 0.80 MEN1 (0.46) TRPM8KDM4EALDH1A1MEN1KMT2A
SCHEMBL20296577 0.75 TRPM8 (0.38) TRPM8KDM4EALDH1A1MEN1KMT2A
SCHEMBL27677221 0.75 CYP1A2 (0.41) TRPM8MEN1KMT2ACYP1A2
SCHEMBL17456220 0.74 KDM4E (0.41) KDM4EALDH1A1HPGDGLAHSD17B10
SCHEMBL30170784 0.74 PAX8 (0.43) TRPM8KDM4EALDH1A1MEN1KMT2A
SCHEMBL29517495 0.74 PAX8 (0.43) TRPM8KDM4EALDH1A1MEN1KMT2A
SCHEMBL20315161 0.74 PAX8 (0.43) TRPM8KDM4EALDH1A1MEN1KMT2A
SCHEMBL17456213 0.73 NPC1 (0.41) KDM4EALDH1A1MEN1KMT2AGLA
SCHEMBL17559731 0.73 MEN1 (0.44) TRPM8KDM4EALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200331911-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. 2020-10-22 US disclosed
US-20120238588-A1 1H-Pyrrolo[2,3-B]Pyridines GlaxoSmithKline, LLC 2012-09-20 US disclosed
US-20090233955-A1 1H-Pyrrolo[2,3-B]Pyridnes GLAXOSMITHKLINE LLC 2009-09-17 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 (3 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-20200331911-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS TRPM8 3686/4885KDM4E 3689/4885ALDH1A1 3370/4885
US-20090233955-A1 1H-Pyrrolo[2,3-B]Pyridnes SGK1, SGK2, SGK3 TRPM8 3884/4885KDM4E 1821/4885ALDH1A1 2874/4885
US-20120238588-A1 1H-Pyrrolo[2,3-B]Pyridines SGK1, SGK2, SGK3 TRPM8 3923/4885KDM4E 1568/4885ALDH1A1 3013/4885

“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.