SCHEMBL11887682

SCHEMBL11887682

Cc1nnc(SCC(=O)Nc2ccc(Cl)cn2)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 1/20 0.67
▸ HTT P42858 2/20 0.66
▸ PTPN5 P54829 1/20 0.66
▸ POLB P06746 3/20 0.60
▸ MAPT P10636 3/20 0.60
▸ GAA P10253 2/20 0.60
▸ KMT2A Q03164 6/20 0.60
▸ ALDH1A1 P00352 5/20 0.58
▸ HPGD P15428 1/20 0.58
▸ CTDSP1 Q9GZU7 1/20 0.58
▸ LMNA P02545 1/20 0.57
▸ HSD11B1 P28845 1/20 0.57
▸ MEN1 O00255 2/20 0.56
▸ THRB P10828 1/20 0.55

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
SCHEMBL933702 0.78 GAA (0.76) AHRHTTPTPN5POLBMAPT
SCHEMBL11888631 0.74 KMT2A (1.00) AHRPTPN5POLBMAPTGAA
SCHEMBL12035866 0.73 RAB9A (0.59) AHRHTTPTPN5POLBMAPT
SCHEMBL19090370 0.72 TDP1 (0.73) HTTMAPTALDH1A1HPGDLMNA
SCHEMBL23933096 0.70 TDP1 (1.00) AHRHTTMAPTGAAALDH1A1
SCHEMBL2944497 0.70 TDP1 (0.71) HTTPOLBMAPTALDH1A1HPGD
SCHEMBL29883158 0.70 TDP1 (0.71) HTTPOLBMAPTALDH1A1HPGD
SCHEMBL2188598 0.70 TDP1 (0.71) HTTPOLBMAPTALDH1A1HPGD
SCHEMBL18286136 0.69 TDP1 (0.73) HTTPOLBMAPTALDH1A1HPGD
Hydrochloric Acid SCHEMBL1503943 0.69 TDP1 (0.69) HTTPOLBMAPTALDH1A1HPGD

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-8785499-B2 Targeting NAD biosynthesis in bacterial pathogens UNIVERSITY OF MARYLAND, BALTIMORE (US) 2014-07-22 — — US disclosed
US-8785499-B2 Targeting NAD biosynthesis in bacterial pathogens UNIVERSITY OF MARYLAND, BALTIMORE (US) 2014-07-22 — — US disclosed
US-20120190708-A1 TARGETING NAD BIOSYNTHESIS IN BACTERIAL PATHOGENS UNIVERSITY OF MARYLAND, BALTIMORE (US) 2012-07-26 — — US disclosed
US-20120190708-A1 TARGETING NAD BIOSYNTHESIS IN BACTERIAL PATHOGENS UNIVERSITY OF MARYLAND, BALTIMORE (US) 2012-07-26 — — 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-20120190708-A1 TARGETING NAD BIOSYNTHESIS IN BACTERIAL PATHOGENS NAMPT, NAPRT, NADK AHR 1926/4885HTT 3439/4885PTPN5 3622/4885

“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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