SCHEMBL6793640

SCHEMBL6793640

O=[N+]([O-])c1ccc(NCCc2ccccn2)c(F)c1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.70
PKM P14618 4/20 0.61
MAPT P10636 3/20 0.57
LMNA P02545 1/20 0.57
CCNC P24863 1/20 0.51
CDK8 P49336 1/20 0.51
POLB P06746 2/20 0.48
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
CYP1A2 P05177 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KDM4E B2RXH2 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CYP3A4 P08684 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
SCHEMBL4844382 0.85 ALDH1A1 (0.70) ALDH1A1PKMMAPTLMNACCNC
SCHEMBL6788102 0.85 ALDH1A1 (0.70) ALDH1A1PKMMAPTLMNACCNC
SCHEMBL4848737 0.82 ALDH1A1 (0.66) ALDH1A1PKMMAPTLMNAMEN1
SCHEMBL4843988 0.82 ALDH1A1 (0.61) ALDH1A1PKMMAPTLMNAPOLB
SCHEMBL6792690 0.81 ALDH1A1 (0.65) ALDH1A1PKMMAPTLMNACCNC
Hydrochloric Acid SCHEMBL6794141 0.81 ALDH1A1 (0.60) ALDH1A1PKMMAPTLMNAPOLB
SCHEMBL27583371 0.80 ALDH1A1 (0.62) ALDH1A1PKMMAPTLMNACCNC
SCHEMBL6794355 0.78 CYP1A2 (0.51) ALDH1A1PKMMAPTLMNAPOLB
SCHEMBL5374323 0.78 KMT2A (0.54) ALDH1A1PKMMAPTLMNAPOLB
SCHEMBL29451986 0.77 L3MBTL1 (0.52) ALDH1A1PKMMAPTMEN1KMT2A

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-20040058903-A1 Benzamide compounds as apo b secretion inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-03-25 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-20040058903-A1 Benzamide compounds as apo b secretion inhibitors APOB, APOL1, SCARB1 ALDH1A1 1427/4885PKM 3447/4885MAPT 4795/4885

“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.