SCHEMBL13496530

SCHEMBL13496530

CNCCCNC(=O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.80

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALPI P09923 1/20 0.51
▸ PKM P14618 1/20 0.51
▸ PTGS1 P23219 1/20 0.51
▸ XIAP P98170 1/20 0.51
▸ SLC7A5 Q01650 1/20 0.51
▸ HDAC8 Q9BY41 1/20 0.50
▸ LTA4H P09960 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ ANPEP P15144 1/20 0.50
▸ RNPEP Q9H4A4 1/20 0.50
▸ DNPEP Q9ULA0 1/20 0.50

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
SCHEMBL9113781 0.92 ALPI (0.59) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL18375234 0.89 ALPI (0.59) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL11254327 0.89 ALPI (0.59) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL18875928 0.88 MMP2 (0.55) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL17337848 0.88 ALPI (0.54) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL16559587 0.88 ALPI (0.58) ALPIPKMPTGS1XIAPSLC7A5
Hydrochloric Acid SCHEMBL2927527 0.88 ALPI (0.58) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL17225991 0.87 OPRD1 (0.47) HDAC8
SCHEMBL3409209 0.87 REN (0.60) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL27163859 0.87 REN (0.60) ALPIPKMPTGS1XIAPSLC7A5

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-7662999-B2 Recognition of oligosaccharide molecular targets by polycationic small molecule inhibitors and treatment of immunological disorders and infectious diseases NATIONAL INSTITUTES OF HEALTH (NIH) (US) 2010-02-16 — — US disclosed
US-20070232674-A1 RECOGNITION OF OLIGIOSACCARIDE MOLECULAR TARGETS BY POLYCATIONIC SMALL MOLECULE INHIBITORS AND TREATMENT OF IMMUNOLOGICAL DISORDERS AND INFECTIOUS DISEASES MEDIQUEST THERAPEUTICS, INC. (US) 2007-10-04 — — US disclosed
US-20070093424-A1 RECOGNITION OF OLIGIOSACCARIDE MOLECULAR TARGETS BY POLYCATIONIC SMALL MOLECULE INHIBITORS AND TREATMENT OF IMMUNOLOGICAL DISORDERS AND INFECTIOUS DISEASES MEDIQUEST THERAPEUTICS, INC. (US) 2007-04-26 — — US disclosed
US-7199267-B1 Recognition of oligiosaccaride molecular targets by polycationic small molecule inhibitors and treatment of immunological disorders and infectious diseases MEDIQUEST THERAPEUTICS, INC. (US) 2007-04-03 — — 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 (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-20070232674-A1 RECOGNITION OF OLIGIOSACCARIDE MOLECULAR TARGETS BY POLYCATIONIC SMALL MOLECULE INHIBITORS AND TREATMENT OF IMMUNOLOGICAL DISORDERS AND INFECTIOUS DISEASES CD14, CD74, OSTC ALPI 3568/4885PKM 3684/4885PTGS1 291/4885
US-20070093424-A1 RECOGNITION OF OLIGIOSACCARIDE MOLECULAR TARGETS BY POLYCATIONIC SMALL MOLECULE INHIBITORS AND TREATMENT OF IMMUNOLOGICAL DISORDERS AND INFECTIOUS DISEASES CD14, CD74, OSTC ALPI 3568/4885PKM 3684/4885PTGS1 291/4885

“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.

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