SCHEMBL6018220

SCHEMBL6018220

NC(=O)c1ccccn1.O=C(N[C@@H](CCCNCc1ccccn1)C(=O)O)c1ccc(CNCc2ccccn2)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 2/20 0.51
FOLH1 Q04609 6/20 0.42
KMT2A Q03164 1/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
C3AR1 Q16581 1/20 0.41
GPR132 Q9UNW8 1/20 0.40
CHRM2 P08172 1/20 0.40
GRIA1 P42261 1/20 0.39
MAPK14 Q16539 1/20 0.39
DHFR P00374 2/20 0.39
TYMS P04818 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39

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
SCHEMBL6018116 0.92 CXCR4 (0.53) CXCR4FOLH1KMT2ANPC1LMNA
SCHEMBL27566287 0.92 CXCR4 (0.53) CXCR4FOLH1KMT2ANPC1LMNA
SCHEMBL6671573 0.90 CXCR4 (0.51) CXCR4FOLH1KMT2ANPC1LMNA
Phenylhydrazine SCHEMBL6690774 0.88 CXCR4 (0.50) CXCR4FOLH1KMT2ANPC1LMNA
SCHEMBL6840697 0.84 CXCR4 (0.46) CXCR4FOLH1KMT2AMAPK14
SCHEMBL6670076 0.84 CXCR4 (0.48) CXCR4FOLH1KMT2ANPC1LMNA
SCHEMBL6019264 0.83 CXCR4 (0.47) CXCR4FOLH1KMT2ANPC1RAB9A
SCHEMBL27597838 0.83 CXCR4 (0.47) CXCR4FOLH1KMT2ANPC1RAB9A
SCHEMBL6018262 0.83 CXCR4 (0.57) CXCR4FOLH1KMT2ANPC1LMNA
SCHEMBL6018215 0.83 CXCR4 (0.55) CXCR4KMT2ANPC1LMNAPOLB

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-7098215-B2 Nitrogenous compounds and antiviral drugs containing the same KUREHA CHEMICAL INDUSTRY CO., LTD. (JP) 2006-08-29 US disclosed
US-20040092556-A1 Nitrogenous compounds and antiviral drugs containing the same KUREHA CORPORATION (JP) 2004-05-13 US disclosed
EP-1273571-A1 NITROGENOUS COMPOUNDS AND ANTIVIRAL DRUGS CONTAINING THE SAME Kureha Chemical Industry Co., Ltd. (JP) 2003-01-08 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-20040092556-A1 Nitrogenous compounds and antiviral drugs containing the same NSUN2, ZC3HAV1L, PNP CXCR4 2185/4885FOLH1 1290/4885KMT2A 3470/4885

“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.