SCHEMBL7724184

SCHEMBL7724184

CC(=O)SCCN(CCN1CCCCC1)C(=O)NCc1ccncc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 9/20 0.47
HTR1A P08908 3/20 0.41
DRD2 P14416 3/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
HTT P42858 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
MAPT P10636 2/20 0.38
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.38
EPHX1 P07099 1/20 0.37
KMT2A Q03164 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL7729340 0.85 NAMPT (0.49) NAMPTHTR1ADRD2CYP1A2CYP3A4
SCHEMBL7723011 0.81 EPHX1 (0.45) NAMPTCYP1A2CYP3A4HTTMAPT
SCHEMBL7719582 0.81 EPHX1 (0.45) NAMPTCYP1A2CYP3A4HTTMAPT
SCHEMBL7729389 0.81 EPHX1 (0.45) NAMPTCYP1A2CYP3A4HTTMAPT
Hydrochloric Acid SCHEMBL7719584 0.80 EPHX1 (0.44) NAMPTCYP1A2CYP3A4HTTMAPT
Hydrochloric Acid SCHEMBL7725020 0.80 EPHX1 (0.44) NAMPTCYP1A2CYP3A4HTTMAPT
SCHEMBL7725052 0.80 NAMPT (0.43) NAMPTHTTMAPTALDH1A1EPHX1
SCHEMBL7729402 0.79 LMNA (0.44) NAMPTCYP3A4HTTMAPTALDH1A1
Hydrochloric Acid SCHEMBL7721942 0.79 NAMPT (0.42) NAMPTHTTMAPTALDH1A1EPHX1
SCHEMBL7719562 0.78 SMN1; SMN2 (0.49) NAMPTCYP1A2CYP3A4HTTMAPT

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 5 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
CN-1318051-A Novel urea derivative having aromatic nitrogen-containing heterocycle SANTEN PHARMACEUTICAL CO LTD (JP) 2001-10-17 CN 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 3320/4885HTR1A 2747/4885DRD2 1413/4885

“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.