SCHEMBL19632861

SCHEMBL19632861

C=CCOC(=O)Nc1ccc2c(c1)CN(C(=O)c1cc(C)cn1C)C2

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ AGPAT2 O15120 1/20 0.39
▸ NAMPT P43490 7/20 0.38
▸ HDAC8 Q9BY41 2/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ KCNA1 Q09470 1/20 0.36
▸ KCNAB1 Q14722 1/20 0.36
▸ TMPRSS2 O15393 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ L3MBTL3 Q96JM7 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ BACE1 P56817 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ AR P10275 1/20 0.34
▸ LMNA P02545 1/20 0.34

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
SCHEMBL19633055 0.89 NAMPT (0.38) AGPAT2NAMPTHDAC8HDAC6TMPRSS2
SCHEMBL19636657 0.86 DRD2 (0.38) NAMPT
SCHEMBL20796305 0.79 KMT2A (0.42) NAMPTMEN1KMT2ALMNA
SCHEMBL19633219 0.78 AGPAT2 (0.40) AGPAT2NAMPTMEN1KMT2AKDM4E
SCHEMBL19614928 0.72 NAMPT (0.42) NAMPTHDAC8HDAC6AR
Hydrochloric Acid SCHEMBL30944564 0.70 MEN1 (0.41) AGPAT2MEN1KMT2AKDM4ELMNA
SCHEMBL19614874 0.69 ITGB3 (0.47) MEN1KMT2A
SCHEMBL3984841 0.69 MEN1 (0.43) AGPAT2MEN1KMT2AKDM4ELMNA
SCHEMBL7116824 0.69 TGM2 (0.54) AGPAT2MEN1KMT2ALMNA
SCHEMBL30944502 0.68 NAMPT (0.42) AGPAT2NAMPTMEN1KMT2AACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170333442-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF MERSANA THERAPEUTICS, INC. 2017-11-23 — — 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-20170333442-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF CD79B, CLTB, FCGR3B AGPAT2 4249/4885NAMPT 3033/4885HDAC8 1370/4885

“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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