SCHEMBL15935489

SCHEMBL15935489

NNNC(=O)C1CCC(CN2C(=O)C=CC2=O)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.33
BACE1 P56817 1/20 0.32
BACE2 Q9Y5Z0 1/20 0.32
TTR P02766 1/20 0.32
IL2 P60568 1/20 0.32
WNT3 P56703 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
BLM P54132 1/20 0.32
WRN Q14191 1/20 0.32
HIF1A Q16665 1/20 0.32
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
KMT2A Q03164 2/20 0.31
GAA P10253 1/20 0.31
NOTUM Q6P988 1/20 0.31

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
SCHEMBL444454 0.88 LMNA (0.34) LMNABACE1BACE2TTRIL2
Hydrochloric Acid SCHEMBL445248 0.87 LMNA (0.34) LMNABACE1BACE2TTRIL2
Hydrochloric Acid SCHEMBL562710 0.87 LMNA (0.34) LMNABACE1BACE2TTRIL2
SCHEMBL20496782 0.85 TTR (0.37) LMNATTRIL2WNT3ALDH1A1
Hydrochloric Acid SCHEMBL20485118 0.84 TTR (0.36) LMNATTRIL2WNT3ALDH1A1
SCHEMBL27627029 0.83 EPHX1 (0.34) LMNABACE1BACE2WNT3ALDH1A1
SCHEMBL12092098 0.82 LMNA (0.47) LMNAWNT3ALDH1A1CYP1A2HPGD
Trifluoroacetic Acid SCHEMBL30949078 0.80 F11 (0.34) LMNABACE1BACE2TTRIL2
SCHEMBL16072051 0.80 SMN1; SMN2 (0.37) BACE1BACE2ALDH1A1CYP1A2HPGD
SCHEMBL744123 0.80 SMN1; SMN2 (0.37) BACE1BACE2ALDH1A1CYP1A2HPGD

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-20140219956-A1 PRO-DRUG FORM (P2PDOX) OF THE HIGHLY POTENT 2-PYRROLINODOXORUBICIN CONJUGATED TO ANTIBODIES FOR TARGETED THERAPY OF CANCER IMMUNOMEDICS, INC. (US) 2014-08-07 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-20140219956-A1 PRO-DRUG FORM (P2PDOX) OF THE HIGHLY POTENT 2-PYRROLINODOXORUBICIN CONJUGATED TO ANTIBODIES FOR TARGETED THERAPY OF CANCER P2RX2, ENTPD1, P2RX1 LMNA 1588/4885BACE1 2597/4885BACE2 3014/4885

“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.