SCHEMBL16638614

SCHEMBL16638614

NCCNCCN(CCNCCC(N)=O)CCC(N)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CA12 O43570 3/20 0.37
CA6 P23280 3/20 0.37
CA7 P43166 3/20 0.37
CA9 Q16790 3/20 0.37
CA14 Q9ULX7 3/20 0.37
CA5B Q9Y2D0 3/20 0.37
MEN1 O00255 1/20 0.37
RECQL P46063 1/20 0.37
KMT2A Q03164 1/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
TDP1 Q9NUW8 3/20 0.36
LMNA P02545 2/20 0.36
CA2 P00918 2/20 0.36
CA3 P07451 2/20 0.36
CA4 P22748 2/20 0.36
CA5A P35218 2/20 0.36
CA1 P00915 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
SCHEMBL7711651 0.96 CYP2C19 (0.43) CYP2C9CYP2C19CA12CA6CA7
SCHEMBL7711123 0.94 CA12 (0.42) CYP2C9CYP2C19CA12CA6CA7
SCHEMBL16638624 0.94 CYP2C9 (0.42) CYP2C9CYP2C19CA12CA6CA7
SCHEMBL16638637 0.93 CYP2C9 (0.41) CYP2C9CYP2C19CA12CA6CA7
SCHEMBL16638636 0.91 MAOA (0.32) CYP2C9CYP2C19CA12CA6CA7
SCHEMBL16638613 0.89 CYP2C9 (0.34) CYP2C9CYP2C19MAOAMAOBPAOX
SCHEMBL11229173 0.84
SCHEMBL17433042 0.83 CYP2C9 (0.42) CYP2C9CYP2C19CA12CA6CA7
SCHEMBL16638627 0.82 CA12 (0.55) CYP2C9CYP2C19CA12CA6CA7
SCHEMBL10064409 0.82 CA12 (0.55) CYP2C9CYP2C19CA12CA6CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160009657-A1 AMINE-CONTAINING LIPIDS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-01-14 US disclosed
US-9006487-B2 Amine-containing lipids and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-04-14 US 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-20160009657-A1 AMINE-CONTAINING LIPIDS AND USES THEREOF PHOSPHO1, CHMP4B, SGMS1 CYP2C9 903/4885CYP2C19 1251/4885CA12 4058/4885

“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.