SCHEMBL5099087

SCHEMBL5099087

COc1cc(OCc2ccccc2F)ccc1CNCCCN1CCCC1=O

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 7/20 0.61
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ PARP15 Q460N3 1/20 0.45
▸ PARP10 Q53GL7 1/20 0.45
▸ MET P08581 1/20 0.44
▸ SELP P16109 1/20 0.44
▸ AXL P30530 1/20 0.44
▸ TYRO3 Q06418 1/20 0.44
▸ MERTK Q12866 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ PKM P14618 1/20 0.43

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
SCHEMBL5096301 0.95 CD274 (0.60) CD274MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL5098924 0.89 CD274 (0.58) CD274MEN1KMT2ASMN1; SMN2PKM
SCHEMBL5092534 0.85 CD274 (0.55) CD274MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL5099020 0.84 KMT2A (0.62) CD274MEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL5105156 0.84 CD274 (0.53) CD274MEN1KMT2A
SCHEMBL5105213 0.81 ALDH1A1 (0.58) CD274MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL5098454 0.80 CD274 (0.63) CD274MEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL5096309 0.80 CD274 (0.75) CD274MEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL5105031 0.79 CD274 (0.54) CD274MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL5096391 0.79 CD274 (0.60) CD274MEN1KMT2APKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7411091-B2 N-acyl-N′-benzyl-alkylendiamino derivatives NEWRON PHARMACEUTICALS S.P.A. (IT) 2008-08-12 — — US claimed
EP-1689708-B1 N-ACYL-N -BENZYL-ALKYLENDIAMINO DERIVATIVES NEWRON PHARM SPA (IT) 2007-06-27 — — EP claimed
US-20070142455-A1 N-acyl-n'-benzyl-alkylendiamino derivatives NEWRON PHARMACEUTICALS S.P.A. (IT) 2007-06-21 — — US claimed
EP-1689708-A1 N-ACYL-N -BENZYL-ALKYLENDIAMINO DERIVATIVES Newron Pharmaceuticals S.p.A. (IT) 2006-08-16 — — EP claimed
WO-2005054189-A1 N-ACYL-N'-BENZYL-ALKYLENDIAMINO DERIVATIVES NEWRON PHARMACEUTICALS S.P.A. (IT) 2005-06-16 — — WO claimed
EP-1535908-A1 N-acyl-N'-benzyl-alkylendiamino drivatives Newron Pharmaceuticals S.p.A. (IT) 2005-06-01 — — EP claimed
US-7411091-B2 N-acyl-N′-benzyl-alkylendiamino derivatives NEWRON PHARMACEUTICALS S.P.A. (IT) 2008-08-12 — — US disclosed
EP-1689708-B1 N-ACYL-N -BENZYL-ALKYLENDIAMINO DERIVATIVES NEWRON PHARM SPA (IT) 2007-06-27 — — EP disclosed
US-20070142455-A1 N-acyl-n'-benzyl-alkylendiamino derivatives NEWRON PHARMACEUTICALS S.P.A. (IT) 2007-06-21 — — US disclosed
EP-1689708-A1 N-ACYL-N -BENZYL-ALKYLENDIAMINO DERIVATIVES Newron Pharmaceuticals S.p.A. (IT) 2006-08-16 — — EP disclosed
WO-2005054189-A1 N-ACYL-N'-BENZYL-ALKYLENDIAMINO DERIVATIVES NEWRON PHARMACEUTICALS S.P.A. (IT) 2005-06-16 — — WO disclosed
EP-1535908-A1 N-acyl-N'-benzyl-alkylendiamino drivatives Newron Pharmaceuticals S.p.A. (IT) 2005-06-01 — — EP 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-20070142455-A1 N-acyl-n'-benzyl-alkylendiamino derivatives SCN7A, HTR7, TRPC7 CD274 4861/4885MEN1 718/4885KMT2A 4198/4885

“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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