SCHEMBL4940669

SCHEMBL4940669

O=[N+]([O-])c1cccc(CN(CCO)CCO)c1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.86
LMNA P02545 3/20 0.86
CYP1A2 P05177 1/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
POLB P06746 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.56
TSHR P16473 4/20 0.54
PYCR1 P32322 1/20 0.52
MAPT P10636 2/20 0.48
NPC1 O15118 1/20 0.48
HTT P42858 1/20 0.48
RAB9A P51151 1/20 0.48
ATM Q13315 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
SIGMAR1 Q99720 1/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL7607617 0.88 ALDH1A1 (0.69) ALDH1A1LMNACYP1A2CYP2D6CYP2C9
SCHEMBL4934026 0.86 ALDH1A1 (0.65) ALDH1A1LMNACYP1A2CYP2D6CYP2C9
SCHEMBL1205031 0.84 CYP1A2 (0.71) ALDH1A1LMNACYP1A2CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL7602418 0.84 LMNA (0.67) ALDH1A1LMNACYP1A2CYP2D6CYP2C9
SCHEMBL8421360 0.81 ALDH1A1 (0.68) ALDH1A1LMNACYP1A2CYP2D6CYP2C9
SCHEMBL374443 0.81 CYP1A2 (0.85) ALDH1A1LMNACYP1A2CYP2D6CYP2C9
SCHEMBL4935242 0.80 ALDH1A1 (0.61) ALDH1A1LMNACYP2C19POLBSMN1; SMN2
SCHEMBL14874503 0.79 MEN1 (0.57) ALDH1A1LMNACYP1A2CYP2D6CYP2C9
SCHEMBL78754 0.78 TSHR (0.62) ALDH1A1LMNACYP1A2CYP2D6CYP2C9
SCHEMBL30409299 0.78 TSHR (0.62) ALDH1A1LMNACYP1A2CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080176889-A1 9-anilinoacridine alkylating agents ACADEMIA SINICA (TW) 2008-07-24 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-20080176889-A1 9-anilinoacridine alkylating agents BCL9, MCL1, BCL9L ALDH1A1 1237/4885LMNA 2555/4885CYP1A2 2700/4885

“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.