SCHEMBL179254

SCHEMBL179254

CC(C)(C)c1ccnnc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.39
TSHR P16473 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.36
LMNA P02545 1/20 0.35
TYR P14679 1/20 0.35
HCAR2 Q8TDS4 1/20 0.34
VNN1 O95497 1/20 0.33
HTR1D P28221 1/20 0.31
ADRA1A P35348 1/20 0.31
NISCH Q9Y2I1 1/20 0.31
BCHE P06276 4/20 0.31
ACHE P22303 4/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
AMY1A P0DUB6 1/20 0.31
PKM P14618 1/20 0.31
NPC1 O15118 4/20 0.30

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
SCHEMBL85670 0.80 LOXL2 (0.33) LOXL2HCAR2VNN1
SCHEMBL26982566 0.80 VNN1 (0.37) LOXL2HCAR2VNN1
SCHEMBL19229668 0.80 LOXL2 (0.33) LOXL2HCAR2VNN1
SCHEMBL25616488 0.80 VNN1 (0.37) LOXL2HCAR2VNN1
SCHEMBL22328432 0.77 NPC1 (0.36) LOXL2LMNAHCAR2VNN1TDP1
SCHEMBL21101451 0.77 VNN1 (0.33) KIF11VNN1ALDH1A1
SCHEMBL5720526 0.76 HCAR2 (0.41) LOXL2HCAR2
SCHEMBL25910068 0.75 KDM4E (0.30) RAB9A
SCHEMBL22328428 0.75 LOXL2 (0.30) LOXL2
SCHEMBL15885025 0.75 CCNA2 (0.36) LOXL2HCAR2VNN1HSD17B10

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 653 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12043613-B2 Inhibitors of SARM1 DISARM THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
US-12043613-B2 Inhibitors of SARM1 DISARM THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
US-12030853-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2024-07-09 US disclosed
US-12030853-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2024-07-09 US disclosed
US-20240067673-A1 MODIFIED NUCLEOSIDE OR NUCLEOTIDE BGI SHENZHEN (CN) 2024-02-29 US disclosed
US-20240067673-A1 MODIFIED NUCLEOSIDE OR NUCLEOTIDE BGI SHENZHEN (CN) 2024-02-29 US disclosed
US-20240072809-A1 ASGPR-BINDING COMPOUNDS FOR THE DEGRADATION OF EXTRACELLULAR PROTEINS AVILAR THERAPEUTICS, INC. (US) 2024-02-29 US disclosed
US-20240018156-A1 SPIROCYCLIC COMPOUNDS C4 THERAPEUTICS, INC. (US) 2024-01-18 US disclosed
US-20240018151-A1 NOVEL INHIBITORS OF PIKFYVE AND METHODS USING SAME TME THERAPEUTICS LLC 2024-01-18 US disclosed
US-20240018151-A1 NOVEL INHIBITORS OF PIKFYVE AND METHODS USING SAME TME THERAPEUTICS LLC 2024-01-18 US disclosed
US-20080132551-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor PFIZER INC 2008-06-05 US disclosed
US-20080064718-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC. (CA) 2008-03-13 US disclosed
US-20080004273-A1 Inhibitors of protein tyrosine kinase activity METHYLGENE, INC. (CA) 2008-01-03 US disclosed
US-20070197533-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-08-23 US disclosed
US-7223759-B2 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-05-29 US disclosed
WO-2007044050-A2 1H-IMIDAZO[4,5-D]THIENO[3,2-B]PYRIDINE BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-19 WO disclosed
US-7202247-B2 1,3-bis-(substituted-phenyl)-2-propyn-1-ones and their use to treat disorders ATHEROGENICS, INC. (US) 2007-04-10 US disclosed
US-20070054884-A1 4-SUBSTITUTED 2-ARYLOXYPHENOL DERIVATIVES AS ANTIBACTERIAL AGENTS EMERGENT PRODUCT DEVELOPMENT GAITHERSBURG INC. 2007-03-08 US disclosed
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE, INC. 2007-01-04 US disclosed
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE, INC. 2007-01-04 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 (11 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-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling HGF, MET, FLT1 KIF11 1892/4885TSHR 396/4885LOXL2 2602/4885
US-20240018156-A1 SPIROCYCLIC COMPOUNDS CRBN, XIAP, RBX1 KIF11 2545/4885TSHR 3600/4885LOXL2 2480/4885
US-12043613-B2 Inhibitors of SARM1 SARM1, SMN1; SMN2, SARNP KIF11 1631/4885TSHR 3994/4885LOXL2 2918/4885
US-20080064718-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY HGF, ERBB2, MET KIF11 2249/4885TSHR 1253/4885LOXL2 2406/4885
US-20240018151-A1 NOVEL INHIBITORS OF PIKFYVE AND METHODS USING SAME PIKFYVE, PIK3CD, PIK3R5 KIF11 2051/4885TSHR 3608/4885LOXL2 3725/4885
US-20070197533-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds DDC, DPP3, AMPD3 KIF11 4529/4885TSHR 4325/4885LOXL2 4035/4885
US-20240067673-A1 MODIFIED NUCLEOSIDE OR NUCLEOTIDE NT5C3B, NT5E, NT5C2 KIF11 2531/4885TSHR 2653/4885LOXL2 4432/4885
US-20080132551-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor CHRNA1, CHRNA7, CHRNA5 KIF11 3083/4885TSHR 416/4885LOXL2 4767/4885
US-20080004273-A1 Inhibitors of protein tyrosine kinase activity HGF, ERBB2, MET KIF11 2249/4885TSHR 1253/4885LOXL2 2406/4885
US-12030853-B2 MASP-2 inhibitors and methods of use MASP2, METAP2, SPINT2 KIF11 3394/4885TSHR 3550/4885LOXL2 1304/4885
US-20070054884-A1 4-SUBSTITUTED 2-ARYLOXYPHENOL DERIVATIVES AS ANTIBACTERIAL AGENTS CLPP, TYR, MRPL21 KIF11 4184/4885TSHR 2702/4885LOXL2 1992/4885

“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.