SCHEMBL10155679

SCHEMBL10155679

NC1(c2cccc([N+](=O)[O-])c2)CCCC1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.56
LMNA P02545 1/20 0.52
TSHR P16473 1/20 0.52
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL26218870 0.81 KDM1A (0.54) KDM1ALMNATSHRALDH1A1
SCHEMBL26218874 0.80 KDM1A (0.53) KDM1ALMNATSHRALDH1A1
SCHEMBL10155702 0.80 SLC6A3 (0.55) KDM1ALMNATSHRALDH1A1
SCHEMBL10184986 0.77 TSHR (0.57) KDM1ALMNATSHRALDH1A1
SCHEMBL30492221 0.77 KDM1A (0.50) KDM1ALMNATSHRALDH1A1
SCHEMBL6676866 0.76 AKR1C1 (0.57) KDM1ALMNATSHRALDH1A1
SCHEMBL2814607 0.76 KDM1A (0.49) KDM1ALMNATSHRALDH1A1
SCHEMBL20916724 0.76 KDM1A (0.55) KDM1ALMNATSHRALDH1A1
SCHEMBL17109519 0.75 ALDH1A1 (0.47) LMNAALDH1A1
SCHEMBL30468156 0.75 KDM1A (0.48) KDM1ALMNATSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120015961-A1 ISOTHIOUREA DERIVATIVES OR ISOUREA DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-01-19 US disclosed
US-20120015961-A1 ISOTHIOUREA DERIVATIVES OR ISOUREA DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-01-19 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 (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-20120015961-A1 ISOTHIOUREA DERIVATIVES OR ISOUREA DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY BACE1, BACE2, APP KDM1A 2122/4885LMNA 3717/4885TSHR 837/4885

“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.