SCHEMBL76865

SCHEMBL76865

Cc1cc(N)ccc1NCCN1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.56
ACHE P22303 4/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HRH3 Q9Y5N1 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
NR4A1 P22736 1/20 0.43
PTK2B Q14289 1/20 0.43
DRD3 P35462 1/20 0.43
ACP1 P24666 1/20 0.42
SMARCA2 P51531 1/20 0.42
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
BACE1 P56817 1/20 0.39

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
SCHEMBL5929357 0.98 RAD52 (0.57) RAD52ACHEMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL5929369 0.97 RAD52 (0.56) RAD52ACHEMEN1KMT2AALDH1A1
SCHEMBL5929400 0.90 RAD52 (0.54) RAD52MEN1KMT2AALDH1A1HRH3
Hydrochloric Acid SCHEMBL5929401 0.89 RAD52 (0.53) RAD52MEN1KMT2AALDH1A1HRH3
SCHEMBL16583873 0.82 SIGMAR1 (0.45) RAD52MEN1KMT2AHRH3DRD3
SCHEMBL14304586 0.81 MEN1 (0.47) ACHEMEN1KMT2AALDH1A1HRH3
SCHEMBL5929374 0.80 SRC (0.47) RAD52KMT2AALDH1A1HRH3GAA
SCHEMBL791880 0.78 DRD3 (0.61) ACHEMEN1KMT2AHRH3MAPT
SCHEMBL4922627 0.76 DRD3 (0.63) ACHEMEN1KMT2AHRH3MAPT
SCHEMBL6369704 0.76 NQO2 (0.47) RAD52ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1568686-A1 n-alkylaminated secondary paraphenylendiamine, which is ortho- and/or meta-substituted, dying composition comprising this paraphenylendiamine, methods based on this composition and uses L'OREAL (FR) 2005-08-31 EP claimed
US-8129396-B2 2-[1H-benzimidazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides and 2-[benzothiazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides as kinase inhibitors TELIK, INC. (US) 2012-03-06 US disclosed
US-20100081653-A1 2-[1H-Benzimidazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides and 2-[benzothiazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides as kinase inhibitors TELIK, INC. 2010-04-01 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-20100081653-A1 2-[1H-Benzimidazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides and 2-[benzothiazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides as kinase inhibitors MAP3K2, MAP4K2, MAP3K12 RAD52 1500/4885ACHE 4105/4885MEN1 3485/4885

“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.