SCHEMBL625849

SCHEMBL625849

NC(=O)Cc1ccc(CNCc2cc(Cl)cc(Cl)c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
CA2 P00918 1/20 0.47
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HDAC1 Q13547 1/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MARS1 P56192 2/20 0.40
TACR1 P25103 1/20 0.40

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
SCHEMBL3340425 0.80 CA2 (0.46) CA2
Hydrochloric Acid SCHEMBL3341453 0.78 IDO1 (0.45) CA2
SCHEMBL626104 0.77 PNMT (0.50) ALDH1A1HDAC1
SCHEMBL6719108 0.77 ALDH1A1 (0.42) ALDH1A1HDAC1MEN1KMT2ANPC1
SCHEMBL3225959 0.77 CA2 (0.47) CA2
SCHEMBL799654 0.76 CA2 (0.64) ALDH1A1CA2CYP2C9CYP2C19MEN1
Hydrochloric Acid SCHEMBL3818358 0.74 CA2 (0.61) ALDH1A1CA2CYP2C9CYP2C19MEN1
Hydrochloric Acid SCHEMBL8185829 0.74 CA2 (0.61) ALDH1A1CA2CYP2C9CYP2C19MEN1
SCHEMBL11290860 0.73 CA2 (0.80) ALDH1A1CA2
SCHEMBL184010 0.73 OXTR (0.57) ALDH1A1CYP2C9CYP2C19MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9192569-B2 Formulations for infusion of type B lantibiotics NOVACTA BIOSYSTEMS LIMITED (GB) 2015-11-24 US disclosed
US-8729031-B2 Compounds NOVACTA BIOSYSTEMS LIMITED (GB) 2014-05-20 US disclosed
EP-2603204-A2 FORMULATIONS FOR INFUSION OF TYPE B LANTIBIOTICS Novacta Biosystems Limited (GB) 2013-06-19 EP disclosed
US-20130137630-A1 FORMULATIONS FOR INFUSION OF TYPE B LANTIBIOTICS NOVACTA BIOSYSTEMS LIMITED (GB) 2013-05-30 US disclosed
WO-2012020219-A2 FORMULATIONS FOR INFUSION OF TYPE B LANTIBIOTICS NOVACTA BIOSYSTEMS LIMITED (GB) 2012-02-16 WO disclosed
EP-2393829-A1 ACTAGARDINE DERIVATIVES Novacta Biosystems Limited (GB) 2011-12-14 EP disclosed
US-20110294723-A1 Compounds NOVACTA BIOSYSTEMS LIMITED (GB) 2011-12-01 US disclosed
WO-2010089544-A1 ACTAGARDINE DERIVATIVES NOVACTA BIOSYSTEMS LIMITED (GB) 2010-08-12 WO 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 (2 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-20130137630-A1 FORMULATIONS FOR INFUSION OF TYPE B LANTIBIOTICS SLC5A2, SLC5A11, SPTSSB ALDH1A1 4387/4885CA2 1204/4885CYP2C9 4511/4885
US-20110294723-A1 Compounds SLC11A2, SDHA, SDHB ALDH1A1 1147/4885CA2 3328/4885CYP2C9 102/4885

“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.