SCHEMBL16306341

SCHEMBL16306341

CCCCOc1ccccc1C=C(N=[N+]=[N-])C(=O)OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ KMT2A Q03164 4/20 0.42
▸ MEN1 O00255 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ POLB P06746 2/20 0.40
▸ PLIN1 O60240 1/20 0.40
▸ PLIN5 Q00G26 1/20 0.40
▸ ABHD5 Q8WTS1 1/20 0.40
▸ ATM Q13315 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ TSHR P16473 3/20 0.38
▸ TP53 P04637 2/20 0.38
▸ GAA P10253 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ PTGES O14684 2/20 0.38
▸ ALOX5 P09917 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ NR1I2 O75469 1/20 0.38

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
SCHEMBL14337628 0.85 MAPT (0.48) SMN1; SMN2KMT2AMEN1LMNAMAPT
SCHEMBL27252480 0.85 CCNB2 (0.47) KMT2AMEN1LMNAMAPTL3MBTL1
SCHEMBL16303657 0.85 CCNB2 (0.47) KMT2AMEN1LMNAMAPTL3MBTL1
SCHEMBL29015396 0.81 HTT (0.45) SMN1; SMN2KMT2AMEN1LMNAMAPT
SCHEMBL23709914 0.80 LMNA (0.47) KMT2AMEN1LMNAMAPTPOLB
SCHEMBL31158626 0.80 ALDH1A1 (0.38) KMT2AMEN1LMNAMAPTPOLB
SCHEMBL31483471 0.79 MAPT (0.57) SMN1; SMN2KMT2AMEN1LMNAMAPT
SCHEMBL23709923 0.79 HTT (0.48) KMT2AMEN1LMNAMAPTPOLB
SCHEMBL20536506 0.79 MAPT (0.37) KMT2AMEN1LMNAMAPTPOLB
SCHEMBL13629386 0.78 MAPT (0.38) SMN1; SMN2KMT2AMEN1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170342054-A1 COMPOUNDS AND METHODS OF USE THEREOF ELDER AMY (US) 2017-11-30 — — US disclosed
US-20150284365-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION (US) 2015-10-08 — — US disclosed
US-8912220-B2 Compounds and methods of use thereof Galenea Pharmaceuticals 2014-12-16 — — 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-20170342054-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT SMN1; SMN2 1404/4885KMT2A 3140/4885MEN1 2074/4885
US-20150284365-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT SMN1; SMN2 1404/4885KMT2A 3140/4885MEN1 2074/4885

“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.

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