SCHEMBL12847701

SCHEMBL12847701

CNC(=O)CCNCCN

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.46
CA6 P23280 4/20 0.46
CA7 P43166 4/20 0.46
CA9 Q16790 4/20 0.46
CA14 Q9ULX7 4/20 0.46
CA5B Q9Y2D0 4/20 0.46
MEN1 O00255 2/20 0.46
RECQL P46063 2/20 0.46
KMT2A Q03164 2/20 0.46
PAOX Q6QHF9 2/20 0.44
LMNA P02545 3/20 0.43
CA2 P00918 3/20 0.43
CA4 P22748 3/20 0.43
CA5A P35218 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
CA3 P07451 2/20 0.43
ALOX15 P16050 2/20 0.43
CA1 P00915 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL12847650 0.98 LMNA (0.48) CA12CA6CA7CA9CA14
SCHEMBL12791496 0.91 PAOX (0.55) CA12CA6CA7CA9CA14
SCHEMBL22622460 0.88 LMNA (0.52) MEN1KMT2APAOXLMNAALDH1A1
SCHEMBL22559768 0.88 PAOX (0.52) CA12CA6CA7CA9CA14
SCHEMBL12942537 0.86 LMNA (0.46) MEN1KMT2APAOXLMNAALDH1A1
SCHEMBL12791495 0.86 LMNA (0.46) CA12CA6CA7CA9CA14
SCHEMBL12847461 0.86 CYP2C9 (0.41) CA12CA6CA7CA9CA14
SCHEMBL12791478 0.85 LMNA (0.50) PAOXLMNAALDH1A1KDM4EHDAC6
SCHEMBL12847460 0.85 LMNA (0.50) PAOXLMNAALDH1A1KDM4EHDAC6
SCHEMBL27383481 0.82 LMNA (0.43) PAOXLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11723914-B2 Nitric oxide-releasing polyaminoglycosides as biodegradable antibacterial scaffolds and methods pertaining thereto THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2023-08-15 US disclosed
US-20200030362-A1 NITRIC OXIDE-RELEASING POLYAMINOGLYCOSIDES AS BIODEGRADABLE ANTIBACTERIAL SCAFFOLDS AND METHODS PERTAINING THERETO THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2020-01-30 US disclosed
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
US-20110052673-A1 THERAPEUTIC COMPOSITIONS SHIRE HUMAN GENETIC THERAPIES, INC. 2011-03-03 US disclosed
US-20110009641-A1 Amine-containing lipids and uses thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-01-13 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 (5 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-20110052673-A1 THERAPEUTIC COMPOSITIONS PHOSPHO1, SGMS1, APOB CA12 1652/4885CA6 1373/4885CA7 2764/4885
US-20110009641-A1 Amine-containing lipids and uses thereof PHOSPHO1, CHMP4B, SGMS1 CA12 4058/4885CA6 1593/4885CA7 2387/4885
US-20200030362-A1 NITRIC OXIDE-RELEASING POLYAMINOGLYCOSIDES AS BIODEGRADABLE ANTIBACTERIAL SCAFFOLDS AND METHODS PERTAINING THERETO NOS2, NOS1, NOS3 CA12 3030/4885CA6 1138/4885CA7 1234/4885
US-20160009657-A1 AMINE-CONTAINING LIPIDS AND USES THEREOF PHOSPHO1, CHMP4B, SGMS1 CA12 4058/4885CA6 1593/4885CA7 2387/4885
US-11723914-B2 Nitric oxide-releasing polyaminoglycosides as biodegradable antibacterial scaffolds and methods pertaining thereto NOS2, NOS1, NOS3 CA12 3030/4885CA6 1138/4885CA7 1234/4885

“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.