SCHEMBL4199689

SCHEMBL4199689

COC(=O)c1nn2c(c1OCc1ccccc1)C(=O)NCCC2

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
RNASEH1 O60930 1/20 0.36
JMJD6 Q6NYC1 1/20 0.36
MAPT P10636 3/20 0.36
TP53 P04637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP1A2 P05177 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
SCN9A Q15858 1/20 0.34

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
SCHEMBL4198610 0.94 USP2 (0.44) USP2ALDH1A1TSHRHSD17B10LMNA
SCHEMBL4199776 0.89 KDM4E (0.37) USP2ALDH1A1TSHRHSD17B10SMN1; SMN2
SCHEMBL18632628 0.83 ALOX5 (0.38) USP2ALDH1A1TSHRHSD17B10JMJD6
SCHEMBL4356392 0.81 LMNA (0.47) ALDH1A1LMNAMAPTTP53SMN1; SMN2
SCHEMBL4196385 0.80 LMNA (0.44) USP2ALDH1A1TSHRHSD17B10LMNA
SCHEMBL4201415 0.76 MEN1 (0.48) ALDH1A1LMNATDP1CYP1A2SMN1; SMN2
SCHEMBL18660067 0.76 USP2 (0.41) USP2ALDH1A1TSHRHSD17B10LMNA
SCHEMBL4196402 0.76 ALDH1A1 (0.41) USP2ALDH1A1TSHRHSD17B10LMNA
SCHEMBL4202996 0.76 LMNA (0.42) USP2ALDH1A1TSHRHSD17B10LMNA
SCHEMBL18660060 0.75 ALPL (0.36) ALDH1A1TSHRLMNAHPGDMAPT

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
EP-1758585-A4 HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2009-07-22 EP disclosed
US-7476666-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-01-13 US disclosed
US-20080015187-A1 Hiv Integrase Inhibitors MERCK SHARP & DOHME CORP. 2008-01-17 US disclosed
EP-1758585-A2 HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2007-03-07 EP disclosed
WO-2005120516-A2 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2005-12-22 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-20080015187-A1 Hiv Integrase Inhibitors REV1, ZC3HAV1, PNP USP2 4226/4885ALDH1A1 3490/4885TSHR 3017/4885

“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.