SCHEMBL5227264

SCHEMBL5227264

O=C(NCCc1c[nH]c2ccccc12)c1ncc2cccnc2c1O

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.59
KMT2A Q03164 5/20 0.59
SIRT1 Q96EB6 6/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
PTGS2 P35354 4/20 0.57
PTGS1 P23219 2/20 0.57
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
CDK4 P11802 2/20 0.53
CCND1 P24385 2/20 0.53
KDM4A O75164 1/20 0.52
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.51
PKM P14618 1/20 0.51
TSHR P16473 1/20 0.51
CYP2C19 P33261 1/20 0.51
BLM P54132 1/20 0.51
POLB P06746 1/20 0.51

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
SCHEMBL5224795 0.90 EGLN1 (0.47) MEN1KMT2ASIRT1SMN1; SMN2PTGS2
SCHEMBL5228962 0.86 PTGS2 (0.65) MEN1KMT2ASIRT1SMN1; SMN2PTGS2
SCHEMBL4064897 0.81 HIF1A (0.52) MEN1KMT2ANPC1RAB9A
SCHEMBL4058387 0.80 EGLN1 (0.70) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL28674794 0.77 PTGS2 (0.75) MEN1KMT2ASIRT1PTGS2PTGS1
SCHEMBL5231051 0.77 PTGS2 (0.77) MEN1KMT2ASIRT1SMN1; SMN2PTGS2
SCHEMBL13824295 0.77 MEN1 (0.58) MEN1KMT2ASIRT1SMN1; SMN2PTGS2
SCHEMBL28358519 0.76 SMN1; SMN2 (0.77) MEN1KMT2ASIRT1SMN1; SMN2PTGS2
SCHEMBL29650351 0.76 SMN1; SMN2 (0.77) MEN1KMT2ASIRT1SMN1; SMN2PTGS2
SCHEMBL4066916 0.76 EGLN1 (0.61) MEN1KMT2ASMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1326611-B1 AZA- AND POLYAZA-NAPHTHALENYL-CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2007-06-13 EP claimed
US-6919351-B2 Aza-and polyaza-naphthalenyl-carboxamides useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2005-07-19 US claimed
EP-1326611-A4 AZA- AND POLYAZA-NAPHTHALENYL-CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2004-04-07 EP claimed
US-20040034221-A1 Aza-and polyaza-naphthalenyl-carboxamides useful as hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2004-02-19 US claimed
EP-1326611-A1 AZA- AND POLYAZA-NAPHTHALENYL-CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2003-07-16 EP claimed
WO-2002030426-A1 AZA- AND POLYAZA-NAPHTHALENYL-CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2002-04-18 WO claimed
EP-1326611-B1 AZA- AND POLYAZA-NAPHTHALENYL-CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2007-06-13 EP disclosed
EP-1326611-B1 AZA- AND POLYAZA-NAPHTHALENYL-CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2007-06-13 EP disclosed
US-6919351-B2 Aza-and polyaza-naphthalenyl-carboxamides useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2005-07-19 US disclosed
EP-1326611-A4 AZA- AND POLYAZA-NAPHTHALENYL-CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2004-04-07 EP disclosed
US-20040034221-A1 Aza-and polyaza-naphthalenyl-carboxamides useful as hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2004-02-19 US disclosed
EP-1326611-A1 AZA- AND POLYAZA-NAPHTHALENYL-CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2003-07-16 EP disclosed
WO-2002030426-A1 AZA- AND POLYAZA-NAPHTHALENYL-CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2002-04-18 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-20040034221-A1 Aza-and polyaza-naphthalenyl-carboxamides useful as hiv integrase inhibitors POLI, DUT, NAAA MEN1 3914/4885KMT2A 91/4885SIRT1 328/4885

“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.