SCHEMBL10102493

SCHEMBL10102493

CCN1CCN(CC)CCN(Cc2c(C)cccc2C)CCN(CC)CC1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.65
ALDH1A1 P00352 5/20 0.53
MEN1 O00255 2/20 0.46
CHRNA7 P36544 1/20 0.46
KDM4E B2RXH2 3/20 0.45
TDP1 Q9NUW8 1/20 0.45
COMT P21964 1/20 0.44
ERAP1 Q9NZ08 1/20 0.43
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GAA P10253 1/20 0.41
RAD52 P43351 1/20 0.41
CYP2A13 Q16696 1/20 0.41

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
SCHEMBL18713208 0.84 MC4R (0.55) KMT2AALDH1A1CHRNA7KDM4ETDP1
SCHEMBL10211060 0.83 CFB (0.50) KMT2AALDH1A1MEN1KDM4ETDP1
SCHEMBL10702627 0.82 COMT (0.47) KMT2AALDH1A1KDM4ECOMTTP53
SCHEMBL16340100 0.82 KMT2A (0.50) KMT2AALDH1A1MEN1KDM4EERAP1
SCHEMBL806920 0.82 CFB (0.53) KMT2AALDH1A1MEN1CHRNA7KDM4E
SCHEMBL18704987 0.79 KDM4E (0.48) KMT2AALDH1A1MEN1KDM4ETDP1
SCHEMBL918507 0.78 KMT2A (0.41) KMT2AALDH1A1MEN1KDM4ECOMT
SCHEMBL20965553 0.78 ALDH1A1 (0.62) KMT2AALDH1A1MEN1CHRNA7KDM4E
SCHEMBL917995 0.78 LMNA (0.64) KMT2AMEN1TDP1
SCHEMBL24403536 0.78 KMT2A (1.00) KMT2AALDH1A1MEN1KDM4ETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119103-B2 Bifunctional resorcinol, thioresorcinol, and dithioresorcinol derivative metal chelating conjugates MALLINCKRODT LLC (US) 2012-02-21 US disclosed
US-20090082324-A1 Bifunctional Resorcinol, Thioresorcinol, and Dithioresorcinol Derivative Metal Chelating Conjugates INFACARE PHARMACEUTICAL CORPORATION 2009-03-26 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-20090082324-A1 Bifunctional Resorcinol, Thioresorcinol, and Dithioresorcinol Derivative Metal Chelating Conjugates SPR, QDPR, SLC40A1 KMT2A 1441/4885ALDH1A1 716/4885MEN1 1017/4885

“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.