SCHEMBL2328271

SCHEMBL2328271

NCCCCCCCCCCCCCCc1nc(Cl)nc(Cl)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 8/20 0.38
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA3 P07451 2/20 0.36
CA4 P22748 2/20 0.36
CA6 P23280 2/20 0.36
CA5A P35218 2/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 0.36
CA14 Q9ULX7 2/20 0.36
CA5B Q9Y2D0 2/20 0.36
TSHR P16473 2/20 0.36
DNM1 Q05193 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ALOX15 P16050 1/20 0.36
LMNA P02545 1/20 0.36
BLM P54132 1/20 0.36
CASP1 P29466 1/20 0.36
HRH2 P25021 2/20 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
SCHEMBL1562318 1.00 HRH1 (0.38) HRH1CA12CA1CA2CA3
SCHEMBL31162283 0.83 CA12 (0.47) HRH1CA12CA1CA2CA3
SCHEMBL19125179 0.80 ALDH1A1 (0.44) TSHRALDH1A1ALOX15CASP1
SCHEMBL10039907 0.80 ALDH1A1 (0.50) TSHRALDH1A1ALOX15LMNACASP1
SCHEMBL11413687 0.77 KMT2A (0.44) TSHRALDH1A1ALOX15LMNA
SCHEMBL10992770 0.77 KMT2A (0.44) TSHRALDH1A1ALOX15LMNA
SCHEMBL4405124 0.77 KMT2A (0.44) TSHRALDH1A1ALOX15LMNA
SCHEMBL11417577 0.77 KMT2A (0.44) TSHRALDH1A1ALOX15LMNA
SCHEMBL10673060 0.74 CASP1 (0.68) HRH1CA12CA1CA2CA3
SCHEMBL10909142 0.73 ALDH1A1 (0.42) TSHRALDH1A1ALOX15CASP1

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
US-7999101-B2 Genetic material complexing and internalizing capacity; low cytotoxicity; such as 2-[4-(3-amino-propylamino)-6-tetradecylamino-[1,3,5]triazin-2-ylamino]-ethanethiol or its disulphide dimer POLITECNICO DI MILANO (IT) 2011-08-16 US disclosed
US-20080146518-A1 Cationic Lipids for the Transfection of Nucleic Acids POLITECNICO DI MILANO (IL) 2008-06-19 US disclosed
EP-1846378-A2 CATIONIC LIPIDS FOR THE TRANSFECTION OF NUCLEIC ACIDS Politecnico Di Milano (IT) 2007-10-24 EP disclosed
WO-2006087752-A2 CATIONIC LIPIDS FOR THE TRANSFECTION OF NUCLEIC ACIDS POLITECNICO DI MILANO (IT) 2006-08-24 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 (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-20080146518-A1 Cationic Lipids for the Transfection of Nucleic Acids AARS1, HARS1, LPAR3 HRH1 201/4885CA12 4624/4885CA1 4400/4885

“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.