SCHEMBL7213837

SCHEMBL7213837

O=C(NCCCN1CCCC1)N(CCO)CCC1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
RAD52 P43351 1/20 0.43
SIGMAR1 Q99720 3/20 0.42
TSHR P16473 2/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
FPR3 P25089 1/20 0.40
FPR2 P25090 1/20 0.40
GAA P10253 2/20 0.40
EPHX1 P07099 1/20 0.40
HRH3 Q9Y5N1 2/20 0.36
L3MBTL3 Q96JM7 1/20 0.35
POLB P06746 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
SCHEMBL7216051 1.00 ALDH1A1 (0.47) ALDH1A1RAD52SIGMAR1TSHRTP53
SCHEMBL27457772 0.93 CA12 (0.40) ALDH1A1RAD52SIGMAR1CYP1A2CYP2D6
SCHEMBL7220238 0.93 CA12 (0.40) ALDH1A1RAD52SIGMAR1CYP1A2CYP2D6
SCHEMBL7213907 0.93 CA12 (0.40) ALDH1A1RAD52SIGMAR1CYP1A2CYP2D6
SCHEMBL7213812 0.91 ALDH1A1 (0.61) ALDH1A1TSHRCYP1A2CYP3A4CYP2D6
SCHEMBL7213998 0.84 SIGMAR1 (0.46) ALDH1A1SIGMAR1TSHRPOLB
SCHEMBL7220076 0.84 ALDH1A1 (0.42) ALDH1A1RAD52SIGMAR1TSHRTP53
SCHEMBL7214804 0.84 ALDH1A1 (0.42) ALDH1A1RAD52SIGMAR1TSHRTP53
SCHEMBL7220549 0.83 ALDH1A1 (0.51) ALDH1A1TSHRTDP1L3MBTL1GAA
SCHEMBL7724227 0.83 ALDH1A1 (0.36) ALDH1A1SIGMAR1TSHRTP53CYP1A2

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-6534499-B2 For therapy of autoimmune disease SANTEN PHARMACEUTICAL CO., LTD. (JP) 2003-03-18 US disclosed
US-20020077357-A1 N-substituted-N'-substituted urea derivatives and the use thereof as TNF-alpha production inhibitory agents SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-06-20 US disclosed
EP-1172359-A1 N-SUBSTITUTED-N'-SUBSTITUTED UREA DERIVATIVE AND USE THEREOF AS TNF-$g(a) PRODUCTION INHIBITOR SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-01-16 EP 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-20020077357-A1 N-substituted-N'-substituted urea derivatives and the use thereof as TNF-alpha production inhibitory agents TNF, NFKBIA, CHUK ALDH1A1 740/4885RAD52 4581/4885SIGMAR1 526/4885

“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.