SCHEMBL4098990

SCHEMBL4098990

N#CC(=Cc1ccccc1[N+](=O)[O-])C(N)=O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.62
▸ PKM P14618 1/20 0.62
▸ GPR55 Q9Y2T6 1/20 0.62
▸ MEN1 O00255 4/20 0.60
▸ KMT2A Q03164 4/20 0.60
▸ POLB P06746 3/20 0.60
▸ GAA P10253 1/20 0.60
▸ MAPT P10636 6/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.59
▸ L3MBTL1 Q9Y468 1/20 0.59
▸ MCL1 Q07820 1/20 0.58
▸ KDM4E B2RXH2 2/20 0.57
▸ HPGD P15428 2/20 0.57
▸ LMNA P02545 1/20 0.57
▸ TP53 P04637 1/20 0.57
▸ HSP90AA1 P07900 1/20 0.57
▸ ATM Q13315 1/20 0.57
▸ HTT P42858 1/20 0.56
▸ CYP1A2 P05177 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52

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
SCHEMBL4098988 1.00 ALDH1A1 (0.62) ALDH1A1PKMGPR55MEN1KMT2A
SCHEMBL13741911 1.00 ALDH1A1 (0.62) ALDH1A1PKMGPR55MEN1KMT2A
SCHEMBL13278328 0.87 ALDH1A1 (0.57) ALDH1A1PKMGPR55MEN1KMT2A
SCHEMBL13278326 0.87 ALDH1A1 (0.57) ALDH1A1PKMGPR55MEN1KMT2A
SCHEMBL9365089 0.87 PKM (0.67) ALDH1A1PKMGPR55MEN1KMT2A
SCHEMBL9365082 0.87 PKM (0.67) ALDH1A1PKMGPR55MEN1KMT2A
SCHEMBL13090694 0.83 PKM (0.62) ALDH1A1PKMGPR55MEN1KMT2A
SCHEMBL21457335 0.82 MAPT (0.70) ALDH1A1PKMGPR55MEN1KMT2A
SCHEMBL11550395 0.82 MAPT (0.57) ALDH1A1PKMGPR55MEN1KMT2A
SCHEMBL5255426 0.82 MAPT (0.70) ALDH1A1PKMGPR55MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090214529-A9 KINESIN INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2009-08-27 — — US disclosed
WO-2008147852-A1 KINESIN INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2008-12-04 — — WO disclosed
US-20080292626-A1 KINESIN INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2008-11-27 — — US disclosed
US-4134981-A ANTIALLERGENS PFIZER INC. (US) 1979-01-16 — — US disclosed
US-4120962-A Fused pyrimidin-4(3H)-ones as antiallergy agents PFIZER INC. (US) 1978-10-17 — — US disclosed
US-4044134-A FUSED WITH QUINOLINE OR PYRIDINE, 2-METHYL, ETHYL, OR ACETYL GROUP PFIZER INC. (US) 1977-08-23 — — US disclosed
US-4011324-A Esters and amides of pyrimido[4,5-b]quinolin-4(3H)-one-2-carboxylic acids as antiulcer agents PFIZER INC. (US) 1977-03-08 — — US disclosed
US-3974161-A Fused pyrimidin-4(3H)-ones as antiallergy agents PFIZER INC. (US) 1976-08-10 — — 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 (2 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-20090214529-A9 KINESIN INHIBITORS KIF5B, KIF5A, KIF5C ALDH1A1 1978/4885PKM 242/4885GPR55 2043/4885
US-20080292626-A1 KINESIN INHIBITORS KIF5B, KIF5A, KIF5C ALDH1A1 1978/4885PKM 242/4885GPR55 2043/4885

“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.

Send feedback