SCHEMBL3703445

SCHEMBL3703445

CCOC(=O)CCNC(=O)n1cc2ccccc2c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.50
TOP2A P11388 2/20 0.48
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.43
TNF P01375 1/20 0.42
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALOX5 P09917 1/20 0.41
LTA4H P09960 1/20 0.41

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
SCHEMBL3711066 0.76 LMNA (0.53) NAMPTALDH1A1LMNA
SCHEMBL3703446 0.76 NAMPT (0.81) NAMPTLMNA
SCHEMBL8794645 0.74 TSHR (0.48) ALDH1A1LMNAPOLB
SCHEMBL27439930 0.73 PRSS1 (0.71) TOP2AALDH1A1LMNAPOLBCYP3A4
SCHEMBL3554973 0.71 HDAC1 (0.60) ALDH1A1LMNACYP3A4CYP2D6CYP2C19
Naphthalene SCHEMBL28059486 0.71 CYP4F2 (0.63) NAMPTTOP2AALDH1A1TNFCYP4F2
Naphthalene SCHEMBL27674005 0.71 CYP4F2 (0.54) TOP2AALDH1A1TNFCYP4F2CYP4A11
SCHEMBL13468193 0.71 CHRM1 (0.55) ALDH1A1
SCHEMBL11167030 0.71 POLB (0.58) TOP2AALDH1A1LMNAPOLBCYP3A4
SCHEMBL27519540 0.71 ALDH1A1 (0.82) NAMPTTOP2AALDH1A1LMNA

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 NAMPT 1/4885TOP2A 3285/4885ALDH1A1 2558/4885
US-20120122842-A1 NAMPT AND ROCK INHIBITORS NAMPT, NNMT, NME2 NAMPT 1/4885TOP2A 2162/4885ALDH1A1 2689/4885
US-20160031880-A1 Nampt and Rock Inhibitors NAMPT, NNMT, NME2 NAMPT 1/4885TOP2A 2162/4885ALDH1A1 2689/4885

“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.