SCHEMBL4934026

SCHEMBL4934026

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

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.65
LMNA P02545 3/20 0.65
TSHR P16473 2/20 0.65
CYP1A2 P05177 1/20 0.64
CYP2D6 P10635 1/20 0.64
CYP2C9 P11712 1/20 0.64
CYP2C19 P33261 1/20 0.64
PYCR1 P32322 1/20 0.54
MAPT P10636 2/20 0.52
NPC1 O15118 1/20 0.52
HTT P42858 1/20 0.52
RAB9A P51151 1/20 0.52
ATM Q13315 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TDP1 Q9NUW8 1/20 0.47
SIGMAR1 Q99720 2/20 0.47
POLB P06746 2/20 0.47
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43

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
SCHEMBL4269263 0.88 TSHR (0.61) ALDH1A1LMNATSHRCYP1A2CYP2D6
SCHEMBL1205031 0.86 CYP1A2 (0.71) ALDH1A1LMNATSHRCYP1A2CYP2D6
SCHEMBL4940669 0.86 ALDH1A1 (0.86) ALDH1A1LMNATSHRCYP1A2CYP2D6
SCHEMBL374443 0.82 CYP1A2 (0.85) ALDH1A1LMNATSHRCYP1A2CYP2D6
SCHEMBL4941593 0.80 CRHBP (0.50) ALDH1A1LMNATSHRCYP1A2CYP2C9
SCHEMBL365344 0.80 TSHR (0.73) ALDH1A1LMNATSHRCYP1A2CYP2D6
SCHEMBL8421360 0.79 ALDH1A1 (0.68) ALDH1A1LMNATSHRCYP1A2CYP2D6
SCHEMBL189560 0.79 TSHR (0.67) ALDH1A1LMNATSHRCYP1A2CYP2D6
SCHEMBL356063 0.79 TSHR (1.00) ALDH1A1LMNATSHRCYP1A2CYP2D6
SCHEMBL30833623 0.79 TSHR (0.67) ALDH1A1LMNATSHRCYP1A2CYP2D6

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 2555/4885TSHR 3398/4885

“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.