SCHEMBL14595147

SCHEMBL14595147

CCNC(=O)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.72
CYP3A4 P08684 2/20 0.72
CYP2C9 P11712 2/20 0.72
TSHR P16473 2/20 0.72
CYP2D6 P10635 1/20 0.72
PMP22 Q01453 1/20 0.72
HIF1A Q16665 1/20 0.72
NPSR1 Q6W5P4 1/20 0.72
PTGER4 P35408 6/20 0.54
LMNA P02545 3/20 0.47
CYP2C19 P33261 1/20 0.47
TP53 P04637 2/20 0.46
SLC9A1 P19634 1/20 0.46
CNR2 P34972 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
JAK2 O60674 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
MAPT P10636 2/20 0.44

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
SCHEMBL21154890 0.90 CYP1A2 (0.67) CYP1A2CYP3A4CYP2C9TSHRCYP2D6
SCHEMBL24486720 0.89 CYP1A2 (0.75) CYP1A2CYP3A4CYP2C9TSHRCYP2D6
SCHEMBL21154835 0.89 CYP1A2 (0.66) CYP1A2CYP3A4CYP2C9TSHRCYP2D6
SCHEMBL21155282 0.89 CYP1A2 (0.66) CYP1A2CYP3A4CYP2C9TSHRCYP2D6
SCHEMBL21154852 0.89 CYP1A2 (0.66) CYP1A2CYP3A4CYP2C9TSHRCYP2D6
SCHEMBL14584137 0.88 TSHR (0.71) CYP1A2CYP3A4CYP2C9TSHRCYP2D6
SCHEMBL996941 0.88 CYP1A2 (0.77) CYP1A2CYP3A4CYP2C9TSHRCYP2D6
SCHEMBL29382834 0.88 CYP1A2 (0.77) CYP1A2CYP3A4CYP2C9TSHRCYP2D6
SCHEMBL12787804 0.87 CYP1A2 (0.72) CYP1A2CYP3A4CYP2C9TSHRCYP2D6
SCHEMBL21155223 0.87 CYP1A2 (0.66) CYP1A2CYP3A4CYP2C9TSHRCYP2D6

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
US-20210061830-A1 MITO-LONIDAMINE, COMPOSITIONS AND METHODS OF USE AIX-MARSEILLE UNIVERSITE (FR) 2021-03-04 US disclosed
US-20070015771-A1 Lonidamine analogs THRESHOLD PHARMACEUTICALS, INC. (US) 2007-01-18 US disclosed
US-20070015771-A1 Lonidamine analogs THRESHOLD PHARMACEUTICALS, INC. (US) 2007-01-18 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 (2 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-20210061830-A1 MITO-LONIDAMINE, COMPOSITIONS AND METHODS OF USE COX5B, COX5A, LONP1 CYP1A2 613/4885CYP3A4 807/4885CYP2C9 398/4885
US-20070015771-A1 Lonidamine analogs LONP1, LPXN, QDPR CYP1A2 4551/4885CYP3A4 4009/4885CYP2C9 4684/4885

“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.