SCHEMBL16359869

SCHEMBL16359869

CCCOC(=O)C(Cc1ccccc1)NI

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.51
LMNA P02545 1/20 0.47
ATM Q13315 1/20 0.47
TACR1 P25103 1/20 0.46
ALDH1A1 P00352 2/20 0.46
THRB P10828 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
MMP8 P22894 1/20 0.46
HPRT1 P00492 1/20 0.45
TSHR P16473 1/20 0.45
CTSL P07711 1/20 0.45
GAA P10253 1/20 0.44
RAB9A P51151 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
SCHEMBL18697761 0.89 MMP8 (0.57) POLBATMTACR1ALDH1A1THRB
SCHEMBL27958171 0.89 MMP8 (0.57) POLBATMTACR1ALDH1A1THRB
SCHEMBL18202473 0.89 POLB (0.52) POLBLMNAATMTACR1ALDH1A1
SCHEMBL807265 0.88 POLB (0.51) POLBLMNAATMTACR1ALDH1A1
SCHEMBL18202442 0.88 POLB (0.51) POLBLMNAATMTACR1ALDH1A1
SCHEMBL18202478 0.88 POLB (0.51) POLBLMNAATMTACR1ALDH1A1
SCHEMBL28262799 0.86 POLB (0.50) POLBLMNAATMTACR1ALDH1A1
SCHEMBL21724949 0.85 ATM (0.61) POLBLMNAATMALDH1A1THRB
SCHEMBL21724950 0.85 ATM (0.61) POLBLMNAATMALDH1A1THRB
SCHEMBL1235531 0.85 TACR1 (0.64) POLBATMTACR1ALDH1A1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230293569-A1 MODULATING NUDIX HOMOLOGY DOMAIN (NHD) WITH NICOTINAMIDE MONONUCLEOTIDE ANALOGS AND DERIVATIVES OF SAME PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2023-09-21 US disclosed
EP-2937350-A1 1' -substituted carba-nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2015-10-28 EP disclosed
WO-2010093608-A1 CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2010-08-19 WO 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-20230293569-A1 MODULATING NUDIX HOMOLOGY DOMAIN (NHD) WITH NICOTINAMIDE MONONUCLEOTIDE ANALOGS AND DERIVATIVES OF SAME NAMPT, NUDT15, NME4 POLB 1232/4885LMNA 787/4885ATM 1049/4885

“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.