SCHEMBL9950753

SCHEMBL9950753

CCn1nc(C)c(O)c1C

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.45
ALOX15 P16050 2/20 0.45
ADORA2A P29274 2/20 0.42
ADORA2B P29275 2/20 0.42
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
HTT P42858 2/20 0.39
ALDH1A1 P00352 1/20 0.36
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
GAA P10253 2/20 0.34
MAPK1 P28482 1/20 0.33
CASP1 P29466 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPT P10636 3/20 0.33
APAF1 O14727 1/20 0.32
GLS O94925 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 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
SCHEMBL23398762 0.82 ADORA2A (0.46) LMNAALOX15ADORA2AADORA2BALDH1A1
SCHEMBL23398731 0.79 HPGD (0.38) LMNAADORA2AADORA2BSMN1; SMN2ALDH1A1
SCHEMBL23402085 0.77 ADORA2A (0.39) LMNAALOX15ADORA2AADORA2BKDM4E
SCHEMBL23403654 0.77 ALOX15 (0.36) LMNAALOX15ADORA2AADORA2BKDM4E
SCHEMBL23400717 0.76 APAF1 (0.44) LMNASMN1; SMN2HTTALDH1A1GAA
SCHEMBL8649530 0.75 ALDH1A1 (0.54) LMNAALOX15ADORA2AADORA2BKDM4E
SCHEMBL23400888 0.74 ADORA2A (0.37) LMNAALOX15ADORA2AADORA2B
SCHEMBL23400861 0.74 ADORA2A (0.41) LMNAALOX15ADORA2AADORA2BAPAF1
SCHEMBL23402197 0.74 ADORA2A (0.37) LMNAALOX15ADORA2AADORA2B
SCHEMBL23399570 0.74 LMNA (0.34) LMNAALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed
US-10851098-B2 Azole amides and amines as alpha v integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-12-01 US disclosed
US-20190256513-A1 AZOLE AMIDES AND AMINES AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-08-22 US disclosed
US-10202360-B2 Therapeutic compounds CELGENE QUANTICEL RESEARCH, INC. (US) 2019-02-12 US disclosed
US-10202360-B2 Therapeutic compounds CELGENE QUANTICEL RESEARCH, INC. (US) 2019-02-12 US disclosed
WO-2017184462-A1 THERAPEUTIC COMPOUNDS CELGENE QUANTICEL RESEARCH, INC. (US) 2017-10-26 WO disclosed
US-20170298040-A1 THERAPEUTIC COMPOUNDS CELGENE QUANTICEL RESEARCH, INC. 2017-10-19 US disclosed
US-20170298040-A1 THERAPEUTIC COMPOUNDS CELGENE QUANTICEL RESEARCH, INC. 2017-10-19 US disclosed
US-20170298040-A1 THERAPEUTIC COMPOUNDS CELGENE QUANTICEL RESEARCH, INC. 2017-10-19 US disclosed
US-20120165339-A1 CYCLOPROPANE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-06-28 US disclosed
US-20120165339-A1 CYCLOPROPANE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-06-28 US disclosed
US-20120165339-A1 CYCLOPROPANE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-06-28 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 (5 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-10851098-B2 Azole amides and amines as alpha v integrin inhibitors ITGAV, ITGB1, ITGA1 LMNA 2428/4885ALOX15 2268/4885ADORA2A 1829/4885
US-10202360-B2 Therapeutic compounds EP300, BRDT, BRPF3 LMNA 1855/4885ALOX15 3516/4885ADORA2A 3878/4885
US-20170298040-A1 THERAPEUTIC COMPOUNDS EP300, BRDT, BRPF3 LMNA 1855/4885ALOX15 3516/4885ADORA2A 3878/4885
US-20190256513-A1 AZOLE AMIDES AND AMINES AS ALPHA V INTEGRIN INHIBITORS ITGAV, ITGB1, ITGA1 LMNA 2428/4885ALOX15 2268/4885ADORA2A 1829/4885
US-20120165339-A1 CYCLOPROPANE DERIVATIVES HCRTR2, HCRTR1, CNR1 LMNA 2444/4885ALOX15 1025/4885ADORA2A 614/4885

“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.