SCHEMBL6806663

SCHEMBL6806663

O=C(O)c1c[n+]([O-])c2ccccc2[n+]1[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
POLB P06746 1/20 0.37
CASP6 P55212 1/20 0.37
ALDH1A1 P00352 5/20 0.33
DAO P14920 1/20 0.33
TSHR P16473 1/20 0.33
NAPRT Q6XQN6 1/20 0.33
ALOX15 P16050 1/20 0.33
ATM Q13315 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
KDM4E B2RXH2 4/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.32
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
ABCB1 P08183 1/20 0.30

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
SCHEMBL11376657 0.80 LMNA (0.43) LMNAMEN1KMT2APOLBCASP6
SCHEMBL3869264 0.73 ATM (0.47) MEN1KMT2APOLBCASP6ALDH1A1
SCHEMBL11695234 0.71 MEN1 (0.47) LMNAMEN1KMT2APOLBCASP6
SCHEMBL11883261 0.71 LMNA (0.39) LMNA
SCHEMBL11883266 0.71 LMNA (0.39) LMNA
SCHEMBL11128291 0.70 LMNA (0.50) LMNAMEN1KMT2APOLBCASP6
Carbamic Acid SCHEMBL20269740 0.70 KMT2A (0.50) LMNAMEN1KMT2APOLBCASP6
SCHEMBL6251001 0.69 ALDH1A1 (0.43) MEN1KMT2AALDH1A1ALOX15HCAR2
SCHEMBL10574669 0.68 BCL2 (0.37) LMNAMEN1KMT2APOLBCASP6
SCHEMBL7703178 0.68 MEN1 (0.40) MEN1KMT2AALDH1A1DAOTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040097554-A1 Heteroaryl-hexanoic acid amide derivatives as immonomodulatory agents PFIZER INC 2004-05-20 US claimed
US-20040097554-A1 Heteroaryl-hexanoic acid amide derivatives as immonomodulatory agents PFIZER INC 2004-05-20 US disclosed
US-5840962-A IN SOLVENT USING ACID CATALYST; BY-PRODUCT INHIBITION INDUSTRIAS MONFEL S.A. DE C.V. (MX) 1998-11-24 US disclosed
US-4039540-A BACTERICIDES, ANIMAL GROWTH PROMOTERS PFIZER INC. (US) 1977-08-02 US disclosed
US-4007184-A BACTERICIDE, ANIMAL GROWTH REGULATOR PFIZER INC. (US) 1977-02-08 US disclosed
US-4007184-A BACTERICIDE, ANIMAL GROWTH REGULATOR PFIZER INC. (US) 1977-02-08 US disclosed
US-3948911-A ANTIBACTERIAL, ANIMAL GROWTH REGULATORS PFIZER INC. (US) 1976-04-06 US disclosed
US-3915975-A Substituted alkyl esters of quinoxaline-di-N-oxide-2-carboxylic acid PFIZER 1975-10-28 US disclosed
US-3915975-A Substituted alkyl esters of quinoxaline-di-N-oxide-2-carboxylic acid PFIZER 1975-10-28 US disclosed
US-3907994-A Substituted alkyl esters quinoxaline-di-N-oxide-2-carboxylic acid as growth promoting agents PFIZER 1975-09-23 US disclosed
US-3818007-A HYDROXYALKYL ESTERS OF QUINOXALINE-DI-N-OXIDE-2-CARBOXYLIC ACID PFIZER 1974-06-18 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-20040097554-A1 Heteroaryl-hexanoic acid amide derivatives as immonomodulatory agents CCR1, HCAR1, CCR3 LMNA 4457/4885MEN1 3377/4885KMT2A 4284/4885

“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.