SCHEMBL18020568

SCHEMBL18020568

N#Cc1c(-c2ccco2)nc(SCC(=O)Nc2nc(-c3ccccc3)cs2)[nH]c1=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 4/20 0.62
▸ MEN1 O00255 8/20 0.62
▸ KMT2A Q03164 8/20 0.62
▸ RXFP1 Q9HBX9 5/20 0.62
▸ ALDH1A1 P00352 4/20 0.62
▸ POLB P06746 4/20 0.62
▸ NPSR1 Q6W5P4 3/20 0.62
▸ HPGD P15428 2/20 0.62
▸ PRNP P04156 2/20 0.62
▸ USP2 O75604 1/20 0.62
▸ MAPK10 P53779 1/20 0.62
▸ HSD17B10 Q99714 1/20 0.62
▸ KDM4E B2RXH2 1/20 0.59
▸ PKM P14618 1/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ TDP1 Q9NUW8 2/20 0.55
▸ DNMT1 P26358 1/20 0.55
▸ LMNA P02545 2/20 0.53
▸ MAPT P10636 1/20 0.53
▸ PLA2G1B P04054 1/20 0.53

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
SCHEMBL18020580 0.86 MEN1 (0.56) BACE1MEN1KMT2AALDH1A1POLB
SCHEMBL17550095 0.69 ACMSD (1.00) MEN1KMT2ARXFP1ALDH1A1POLB
SCHEMBL16772467 0.69 MEN1 (0.72) MEN1KMT2ARXFP1ALDH1A1POLB
SCHEMBL24087903 0.68 RXFP1 (0.77) MEN1KMT2ARXFP1ALDH1A1POLB
SCHEMBL17550100 0.67 ACMSD (1.00) MEN1KMT2ARXFP1ALDH1A1POLB
SCHEMBL5698591 0.67 MEN1 (0.60) MEN1KMT2AALDH1A1POLBNPSR1
SCHEMBL26847418 0.67 RXFP1 (0.85) MEN1KMT2ARXFP1ALDH1A1POLB
SCHEMBL21484713 0.67 ABL1 (0.68) MEN1KMT2AALDH1A1USP2KDM4E
SCHEMBL837694 0.67 GAA (0.68) MEN1KMT2APOLBNPSR1USP2
SCHEMBL23850319 0.66 KMT2A (0.82) MEN1KMT2ARXFP1ALDH1A1POLB

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-20180169098-A1 SMALL MOLECULES TARGETING HIV-1 NEF UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2018-06-21 — — US disclosed
US-20160235750-A1 SMALL MOLECULES TARGETING HIV-1 NEF University of Pittsburgh - of the Commonwealth Sys tem of Higher Education (US) 2016-08-18 — — 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-20180169098-A1 SMALL MOLECULES TARGETING HIV-1 NEF SLC43A1, NAT1, CD4 BACE1 2103/4885MEN1 4429/4885KMT2A 2565/4885
US-20160235750-A1 SMALL MOLECULES TARGETING HIV-1 NEF SLC43A1, NAT1, CD4 BACE1 2103/4885MEN1 4429/4885KMT2A 2565/4885

“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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