SCHEMBL3989304

SCHEMBL3989304

Cc1nn(Cc2cccc(Cl)c2)c(=O)c2c(O)c3n(c12)CCN(C)C3=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 1/20 0.40
TP53 P04637 4/20 0.40
MAPT P10636 4/20 0.40
POLB P06746 1/20 0.39
MAOB P27338 2/20 0.38
ADORA3 P0DMS8 2/20 0.38
PKM P14618 1/20 0.38
PKLR P30613 1/20 0.38
ADORA2A P29274 1/20 0.38
CASR P41180 1/20 0.37
EGLN1 Q9GZT9 1/20 0.36
GLA P06280 1/20 0.36
HTT P42858 1/20 0.36
UBE2N P61088 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL3992564 0.90 PDE5A (0.38) LMNASMN1; SMN2MEN1HPGDKMT2A
SCHEMBL3985461 0.90 PDE5A (0.39) MEN1HPGDKMT2AMAPTPOLB
SCHEMBL3986662 0.89 GAA (0.38) LMNASMN1; SMN2MEN1HPGDKMT2A
SCHEMBL3983972 0.89 RXFP1 (0.40) HPGDALDH1A1MAPTPOLBPKM
SCHEMBL3986060 0.88 PDE5A (0.45) ALDH1A1TP53MAPTADORA3PKM
SCHEMBL3981492 0.88 MAOB (0.40) LMNASMN1; SMN2ALDH1A1TP53MAPT
SCHEMBL3994378 0.86 ABHD6 (0.43) LMNASMN1; SMN2ALDH1A1MAPTPOLB
SCHEMBL3985863 0.86 PKM (0.35) LMNASMN1; SMN2MEN1HPGDKMT2A
SCHEMBL3985346 0.86 PKM (0.36) MEN1KMT2AALDH1A1POLBMAOB
SCHEMBL3985002 0.85 NPBWR1 (0.35) LMNAMEN1KMT2ATP53POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538112-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-05-26 US claimed
US-20080287394-A1 Hiv Integrase Inhibitors MERCK & CO., INC. (US) 2008-11-20 US claimed
EP-1756114-B1 HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME (US) 2014-11-19 EP disclosed
EP-1756114-B1 HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME (US) 2014-11-19 EP disclosed
US-7538112-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-05-26 US disclosed
US-7538112-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-05-26 US disclosed
US-20080287394-A1 Hiv Integrase Inhibitors MERCK & CO., INC. (US) 2008-11-20 US disclosed
US-20080287394-A1 Hiv Integrase Inhibitors MERCK & CO., INC. (US) 2008-11-20 US disclosed
US-20080287394-A1 Hiv Integrase Inhibitors MERCK & CO., INC. (US) 2008-11-20 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-20080287394-A1 Hiv Integrase Inhibitors DHPS, DPYD, TYMP LMNA 3682/4885SMN1; SMN2 4264/4885MEN1 4592/4885

“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.