SCHEMBL3697172

SCHEMBL3697172

O=C(Nc1ccc(N2CCNCC2)cc1)n1cc2ccccc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
USP2 O75604 1/20 0.50
ALDH1A1 P00352 1/20 0.50
TSHR P16473 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MAPKAPK2 P49137 5/20 0.48
HTR6 P50406 1/20 0.48
MT-CO2 P00403 1/20 0.47
HTR3E A5X5Y0 2/20 0.47
HTR3B O95264 2/20 0.47
HTR3A P46098 2/20 0.47
HTR3D Q70Z44 2/20 0.47
HTR3C Q8WXA8 2/20 0.47
SIGMAR1 Q99720 2/20 0.47
HTR5A P47898 1/20 0.47
ADRB1 P08588 1/20 0.46
KDM1A O60341 1/20 0.46
ME2 P23368 1/20 0.46
ME1 P48163 1/20 0.46
ME3 Q16798 1/20 0.46

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
SCHEMBL3697173 0.78 NAMPT (0.70) NAMPT
SCHEMBL3706793 0.77 NAMPT (0.67) NAMPT
SCHEMBL12005896 0.76 ALDH1A1 (0.57) POLBUSP2ALDH1A1TSHRHSD17B10
SCHEMBL532678 0.76 MAPT (0.74) USP2ALDH1A1TSHRHSD17B10MAPKAPK2
SCHEMBL3704674 0.76 NAMPT (0.71) ALDH1A1TSHRNPC1MAPTSMN1; SMN2
SCHEMBL28791705 0.75 ALDH1A1 (0.51) USP2ALDH1A1TSHRHSD17B10MAPKAPK2
SCHEMBL532005 0.75 KMT2A (0.73) POLBUSP2ALDH1A1TSHRHSD17B10
SCHEMBL3706499 0.74 KCNH2 (0.50) KDM1ANAMPT
SCHEMBL3699869 0.74 NAMPT (0.57) ME2ME1ME3CA12CA1
SCHEMBL16605558 0.74 MAPKAPK2 (0.74) POLBALDH1A1MAPKAPK2MT-CO2NPC1

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 POLB 2600/4885USP2 4437/4885ALDH1A1 2558/4885
US-20120122842-A1 NAMPT AND ROCK INHIBITORS NAMPT, NNMT, NME2 POLB 2278/4885USP2 4444/4885ALDH1A1 2689/4885
US-20160031880-A1 Nampt and Rock Inhibitors NAMPT, NNMT, NME2 POLB 2278/4885USP2 4444/4885ALDH1A1 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.