SCHEMBL7729404

SCHEMBL7729404

Cc1nc(CNC(=O)N(CCO)CCC2CCCCC2)cs1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 1/20 0.37
▸ HPGD P15428 5/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ NPC1 O15118 3/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ SMN1; SMN2 Q16637 4/20 0.35
▸ CHRM4 P08173 2/20 0.35
▸ PI4KB Q9UBF8 2/20 0.35
▸ MAPT P10636 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ PDE10A Q9Y233 1/20 0.34
▸ CASR P41180 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ SLC5A7 Q9GZV3 1/20 0.34

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
SCHEMBL7723892 0.87 CYP1A2 (0.35) MAPK14HPGDALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL7725059 0.86 CYP1A2 (0.35) MAPK14HPGDALDH1A1MEN1KMT2A
SCHEMBL7723881 0.76 KMT2A (0.45) MAPK14HPGDALDH1A1MEN1KMT2A
SCHEMBL7719571 0.75 EPHX1 (0.50) ALDH1A1NPC1RAB9AMAPTTP53
SCHEMBL7729158 0.75 EPHX1 (0.50) ALDH1A1NPC1RAB9AMAPTTP53
SCHEMBL7723229 0.75 EPHX1 (0.50) ALDH1A1NPC1RAB9AMAPTTP53
SCHEMBL7723902 0.74 EPHX1 (0.48) ALDH1A1MAPT
SCHEMBL7725004 0.73 CNR1 (0.48) HPGDALDH1A1MEN1KMT2ANPC1
SCHEMBL6731438 0.71 PKM (0.41) HPGDALDH1A1KMT2AL3MBTL1CASR
SCHEMBL7729255 0.71 KDM4E (0.47) ALDH1A1KMT2AL3MBTL1NPC1RAB9A

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 MAPK14 1578/4885HPGD 327/4885ALDH1A1 988/4885

“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.

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