SCHEMBL423924

SCHEMBL423924

CCCCCC1SC[C@@H]2NC(=O)N[C@H]12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HLCS P50747 6/20 1.00
TDP1 Q9NUW8 6/20 0.67
MEN1 O00255 1/20 0.67
ABL1 P00519 1/20 0.67
LMNA P02545 1/20 0.67
PKM P14618 1/20 0.67
IDE P14735 1/20 0.67
MAPK1 P28482 1/20 0.67
KMT2A Q03164 1/20 0.67
RIN1 Q13671 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
CA12 O43570 6/20 0.47
CA1 P00915 6/20 0.47
CA2 P00918 6/20 0.47
CA9 Q16790 6/20 0.47
F2 P00734 1/20 0.44
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
TPSAB1 Q15661 1/20 0.44

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
SCHEMBL10038443 1.00 HLCS (1.00) HLCSTDP1MEN1ABL1LMNA
SCHEMBL4813368 1.00 HLCS (1.00) HLCSTDP1MEN1ABL1LMNA
SCHEMBL21769329 1.00 HLCS (1.00) HLCSTDP1MEN1ABL1LMNA
SCHEMBL4813371 1.00 HLCS (1.00) HLCSTDP1MEN1ABL1LMNA
SCHEMBL11248300 1.00 HLCS (1.00) HLCSTDP1MEN1ABL1LMNA
SCHEMBL11248303 1.00 HLCS (1.00) HLCSTDP1MEN1ABL1LMNA
SCHEMBL19249123 0.98 HLCS (1.00) HLCSTDP1MEN1ABL1LMNA
SCHEMBL21348602 0.98 HLCS (1.00) HLCSTDP1MEN1ABL1LMNA
SCHEMBL10286412 0.98 HLCS (1.00) HLCSTDP1MEN1ABL1LMNA
SCHEMBL12654818 0.98 HLCS (1.00) HLCSTDP1MEN1ABL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021145785-A1 BENZIMIDAZOLE DERIVATIVES AND SALTS THEREOF EXHIBITING AN ANTI-GERIATRIC EFFECT ФАРБЕР, Борис Славинович 2021-07-22 WO disclosed
WO-2020132588-A1 COMBINATION THERAPY OF ARMS AND NATURAL KILLER CELLS KLEO PHARMACEUTICALS, INC. (US) 2020-06-25 WO disclosed
US-20120065406-A1 Improved Preparation Method for D-Biotin ZHEJIANG MEDICINE CO., LTD., XINCHANG PHARMACEUTICAL FACTORY (CN) 2012-03-15 US disclosed
US-20110189692-A1 ASSAY FOR PATHOGENIC CONFORMERS NOVARTIS AG 2011-08-04 US disclosed
US-20070087972-A1 Prion-specific peptoid reagents NOVARTIS AG (CH) 2007-04-19 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-20120065406-A1 Improved Preparation Method for D-Biotin ACSL3, SQLE, BTD HLCS 61/4885TDP1 4732/4885MEN1 3736/4885
US-20070087972-A1 Prion-specific peptoid reagents PRNP, PARL, PCNP HLCS 714/4885TDP1 1545/4885MEN1 2738/4885

“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.