SCHEMBL2528074

SCHEMBL2528074

CCCc1cc(C(N)=O)on1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.40
POLB P06746 2/20 0.39
ALDH1A1 P00352 4/20 0.37
HSD17B10 Q99714 3/20 0.37
USP2 O75604 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
CYP3A4 P08684 1/20 0.37
RAB9A P51151 5/20 0.36
NPC1 O15118 4/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
S1PR1 P21453 2/20 0.35
S1PR3 Q99500 2/20 0.35
XBP1 P17861 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL12467073 0.85 EPHX2 (0.40) POLBRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL8879976 0.84 PPARA (0.41) PPARAPOLBALDH1A1TSHRKDM4E
SCHEMBL2530338 0.84 HCAR2 (0.53) PPARAPOLBALDH1A1MAPTTSHR
SCHEMBL4167072 0.82 CAPN1 (0.36) PPARAALDH1A1LMNARAB9ASMN1; SMN2
SCHEMBL30314694 0.81 HCAR2 (0.36) PPARAPOLBMAPTRAB9ANPC1
SCHEMBL4146013 0.81 PPARA (0.36) PPARAMAPTHCAR2
SCHEMBL5966730 0.79 SMN1; SMN2 (0.41) PPARAPOLBALDH1A1HSD17B10MAPT
SCHEMBL15273772 0.78 SCD (0.36) POLBALDH1A1LMNASMN1; SMN2HCAR2
SCHEMBL25180195 0.77 LMNA (0.36) POLBALDH1A1LMNAMEN1KMT2A
SCHEMBL30043569 0.77 POLB (0.41) POLBALDH1A1KDM4ERAB9ANPC1

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
CN-110279872-A Conjugated body of the cytotoxic molecule with cell bound receptor molecule 杭州多禧生物科技有限公司 2019-09-27 CN disclosed
US-8039455-B2 Macrocyclic compounds useful as BACE inhibitors NOVARTIS AG (CH) 2011-10-18 US disclosed
US-20090029960-A1 MACROCYCLIC COMPOUNDS USEFUL AS BASE INHIBITORS NOVARTIS AG (CH) 2009-01-29 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 (1 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-20090029960-A1 MACROCYCLIC COMPOUNDS USEFUL AS BASE INHIBITORS SLC10A2, SLC10A1, ASAH2 PPARA 3245/4885POLB 542/4885ALDH1A1 2955/4885

“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.