SCHEMBL7719657

SCHEMBL7719657

Cn1cnc(CCNC(=O)N(CCO)CCC2CCCCC2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.37
ALDH1A1 P00352 5/20 0.35
KDM4E B2RXH2 4/20 0.35
KAT7 O95251 1/20 0.34
TSHR P16473 4/20 0.33
CPB1 P15086 1/20 0.33
CPB2 Q96IY4 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MTOR P42345 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
HPGD P15428 4/20 0.33
HSD17B10 Q99714 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL7723912 0.88 NAMPT (0.36) NAMPTALDH1A1KDM4EKAT7TSHR
SCHEMBL7729401 0.75 HSD17B10 (0.48) ALDH1A1TSHRHSD17B10MEN1KMT2A
SCHEMBL6731438 0.74 PKM (0.41) ALDH1A1HPGDKMT2AL3MBTL1CASR
SCHEMBL7214697 0.74 EPHX1 (0.33) ALDH1A1MEN1KMT2AL3MBTL1CASR
SCHEMBL27501390 0.74 KMT2A (0.36) ALDH1A1TSHRCYP2C19HPGDMEN1
SCHEMBL7213907 0.73 CA12 (0.40) ALDH1A1KDM4ECYP2C9HRH3MEN1
SCHEMBL7220238 0.73 CA12 (0.40) ALDH1A1KDM4ECYP2C9HRH3MEN1
SCHEMBL27457772 0.73 CA12 (0.40) ALDH1A1KDM4ECYP2C9HRH3MEN1
SCHEMBL6737845 0.73 SIGMAR1 (0.46) ALDH1A1KDM4ECASRKDM4C
SCHEMBL7213998 0.73 SIGMAR1 (0.46) ALDH1A1TSHRHSD17B10POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1147469-C Novel urea derivatives bearing nitrogenous aromatic heterocycles ������ҩ��ʽ���� 2004-04-28 CN disclosed
US-6420398-B2 FOR TREATING AUTOIMMUNE DISEASES SUCH AS RHEUMATOID ARTHRITIS; 4-(3-(2-(ACETYLTHIO)ETHYL)-3-(2-CYCLOHEXYLETHYL)-UREIDOMETHYL)-1 -METHYLPYRIDINIUM IODIDE, FOR EXAMPLE; INHIBIT PRODUCTION OF TUMOR NECROSIS FACTOR ALPHA (TNF-A) SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-07-16 US disclosed
US-20010041725-A1 Novel urea derivatives having nitrogen aromatic heterocycle SANTEN PHARMACEUTICAL CO., LTD. (JP) 2001-11-15 US disclosed
EP-1103543-A1 NOVEL UREA DERIVATIVES BEARING NITROGENOUS AROMATIC HETEROCYCLES SANTEN PHARMACEUTICAL CO., LTD. (JP) 2001-05-30 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-20010041725-A1 Novel urea derivatives having nitrogen aromatic heterocycle TNF, UACA, HRH4 NAMPT 3320/4885ALDH1A1 988/4885KDM4E 1720/4885

“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.