SCHEMBL3699587

SCHEMBL3699587

O=C(O)NCC1CN(c2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.47
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 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
SCHEMBL1751385 0.90 MAPT (0.52) MAPTALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL1751383 0.90 MAPT (0.52) MAPTALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL27178664 0.80 HTR1A (0.56) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL1749412 0.80 GFER (0.41) MAPTALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL23983316 0.79 SIRT6 (0.54) MAPTALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL1749577 0.78 MAPT (0.53) MAPTALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL20610450 0.76 MAPT (0.59) MAPTALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL6710563 0.74 MAPT (0.58) MAPTALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL3549925 0.74 MAPT (0.58) MAPTALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL9969608 0.74 MAPT (0.55) MAPTALDH1A1SMN1; SMN2LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10093624-B2 NAMPT and ROCK inhibitors ABBVIE INC. (US) 2018-10-09 US disclosed
US-9302989-B2 NAMPT and rock inhibitors ABBVIE INC. (US) 2016-04-05 US disclosed
US-20160031880-A1 Nampt and Rock Inhibitors ABBVIE INC. (US) 2016-02-04 US disclosed
EP-2640698-A1 NAMPT AND ROCK INHIBITORS AbbVie Inc. (US) 2013-09-25 EP disclosed
WO-2012067965-A1 NAMPT AND ROCK INHIBITORS ABBOTT LABORATORIES (US) 2012-05-24 WO disclosed
US-20120122842-A1 NAMPT AND ROCK INHIBITORS ABBOTT LABORATORIES (US) 2012-05-17 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 (3 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-10093624-B2 NAMPT and ROCK inhibitors NAMPT, NNMT, NADK MAPT 386/4885ALDH1A1 2558/4885SMN1; SMN2 1778/4885
US-20120122842-A1 NAMPT AND ROCK INHIBITORS NAMPT, NNMT, NME2 MAPT 512/4885ALDH1A1 2689/4885SMN1; SMN2 917/4885
US-20160031880-A1 Nampt and Rock Inhibitors NAMPT, NNMT, NME2 MAPT 512/4885ALDH1A1 2689/4885SMN1; SMN2 917/4885

“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.