Sugi Predict

Sugi Predict / Compounds / SCHEMBL7723950

SCHEMBL7723950

SCHEMBL7723950

CC(=O)SCCN(CCC1CCCCC1)C(=O)NCCc1ccncc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.43
▸ ALDH1A1 P00352 3/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ EPHX2 P34913 1/20 0.38
▸ USP2 O75604 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ POLB P06746 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ PPARG P37231 2/20 0.37
▸ PPARA Q07869 2/20 0.37
▸ GMNN O75496 1/20 0.37
▸ USP1 O94782 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 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
SCHEMBL7723935 0.95 ALDH1A1 (0.39) HSD17B10ALDH1A1RAB9AEPHX2USP2
SCHEMBL7724992 0.94 ALDH1A1 (0.38) HSD17B10ALDH1A1RAB9AUSP2LMNA
Hydrochloric Acid SCHEMBL7725033 0.94 ALDH1A1 (0.38) HSD17B10ALDH1A1RAB9AEPHX2USP2
SCHEMBL7724175 0.93 ALDH1A1 (0.38) HSD17B10ALDH1A1RAB9AUSP2LMNA
SCHEMBL7729389 0.90 EPHX1 (0.45) ALDH1A1SMN1; SMN2USP2LMNAMAPT
SCHEMBL7723011 0.90 EPHX1 (0.45) ALDH1A1SMN1; SMN2USP2LMNAMAPT
SCHEMBL7719582 0.90 EPHX1 (0.45) ALDH1A1SMN1; SMN2USP2LMNAMAPT
Hydrochloric Acid SCHEMBL7725020 0.89 EPHX1 (0.44) ALDH1A1SMN1; SMN2USP2LMNAMAPT
Hydrochloric Acid SCHEMBL7719584 0.89 EPHX1 (0.44) ALDH1A1SMN1; SMN2USP2LMNAMAPT
SCHEMBL7725052 0.89 NAMPT (0.43) ALDH1A1RAB9AUSP2LMNAMAPT

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 HSD17B10 2060/4885ALDH1A1 988/4885RAB9A 2498/4885

“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.