SCHEMBL6732080

SCHEMBL6732080

CN(CCCNC(=O)N(CCO)CCC1CCCCC1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
BCHE P06276 2/20 0.43
ALDH1A1 P00352 3/20 0.42
TSHR P16473 2/20 0.42
MAPT P10636 2/20 0.42
USP2 O75604 1/20 0.42
GFER P55789 3/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
CASR P41180 1/20 0.41
ALOX15 P16050 1/20 0.41
CNR1 P21554 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PKM P14618 1/20 0.40
ATM Q13315 1/20 0.40
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
EPHX1 P07099 1/20 0.37

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
SCHEMBL6732265 0.88 ALDH1A1 (0.43) MEN1KMT2ABCHEALDH1A1TSHR
SCHEMBL6737845 0.82 SIGMAR1 (0.46) BCHEALDH1A1CASRPKMEPHX1
SCHEMBL6732085 0.80 P2RX7 (0.42) MEN1KMT2AALDH1A1MAPTCASR
SCHEMBL7724227 0.79 ALDH1A1 (0.36) MEN1KMT2AALDH1A1TSHRCYP3A4
SCHEMBL6731438 0.79 PKM (0.41) KMT2AALDH1A1CASRCNR1PKM
SCHEMBL7723097 0.77 HSD17B10 (0.42) MEN1KMT2AALDH1A1MAPTUSP2
SCHEMBL7724934 0.76 EPHX1 (0.41) MEN1KMT2AALDH1A1MAPTUSP2
SCHEMBL27501390 0.76 KMT2A (0.36) MEN1KMT2AALDH1A1TSHRCYP3A4
SCHEMBL7729385 0.75 EPHX1 (0.41) MEN1KMT2AALDH1A1MAPTUSP2
SCHEMBL11209572 0.75 BCHE (0.46) BCHEPKM

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-6683200-B2 N-SUBSTITUTED-N'-SUBSTITUTED UREA DERIVATIVE IS USED AS A TUMOR NECROSIS FACTOR-ALPHA PRODUCTION INHIBITORY AGENT AND A THERAPEUTICAL AGENT FOR AUTOIMMUNE DISEASES SANTEN PHARMACEUTICAL CO., LTD. (JP) 2004-01-27 US disclosed
US-20020068763-A1 N-substituted-N'-substituted urea derivatives and pharmaceutical compositions containing the derivatives SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-06-06 US disclosed
EP-1172358-A1 N-SUBSTITUTED-N'-SUBSTITUTED UREA DERIVATIVE AND MEDICINAL COMPOSITIONS CONTAINING THE SAME 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-20020068763-A1 N-substituted-N'-substituted urea derivatives and pharmaceutical compositions containing the derivatives TNF, NFKBIA, UMPS MEN1 4072/4885KMT2A 4854/4885BCHE 1199/4885

“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.