SCHEMBL17512401

SCHEMBL17512401

COc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-]

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.70
CYP3A4 P08684 1/20 0.70
TSHR P16473 1/20 0.70
TDP1 Q9NUW8 1/20 0.70
MEN1 O00255 8/20 0.69
KMT2A Q03164 8/20 0.69
MAPT P10636 5/20 0.69
POLB P06746 3/20 0.69
LMNA P02545 1/20 0.68
RAB9A P51151 2/20 0.66
GAA P10253 1/20 0.63
NPC1 O15118 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63

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
SCHEMBL6813418 0.95 MEN1 (0.73) ALDH1A1CYP3A4TSHRTDP1MEN1
SCHEMBL17512373 0.88 MEN1 (0.56) ALDH1A1CYP3A4TSHRTDP1MEN1
SCHEMBL17512404 0.87 POLB (0.70) ALDH1A1TDP1MEN1KMT2AMAPT
SCHEMBL27942800 0.86 KMT2A (0.72) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL8304557 0.85 MEN1 (0.68) ALDH1A1TDP1MEN1KMT2AMAPT
SCHEMBL23412417 0.85 ALDH1A1 (0.76) ALDH1A1CYP3A4TSHRTDP1MEN1
SCHEMBL17512416 0.85 POLB (0.58) ALDH1A1CYP3A4TSHRTDP1MEN1
SCHEMBL6035317 0.84 ALDH1A1 (0.79) ALDH1A1CYP3A4TSHRTDP1MEN1
SCHEMBL12136758 0.84 ALDH1A1 (0.74) ALDH1A1CYP3A4TSHRTDP1MEN1
SCHEMBL15176815 0.83 MEN1 (0.65) ALDH1A1CYP3A4TSHRTDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9688637-B2 3-amidobenzamides and uses thereof for increasing cellular levels of A3G and other A3 family members NORTHWESTERN UNIVERSTIY (US) 2017-06-27 US disclosed
US-9688637-B2 3-amidobenzamides and uses thereof for increasing cellular levels of A3G and other A3 family members NORTHWESTERN UNIVERSTIY (US) 2017-06-27 US disclosed
US-20160052870-A1 3-AMIDOBENZAMIDES AND USES THEREOF FOR INCREASING CELLULAR LEVELS OF A3G AND OTHER A3 FAMILY MEMBERS NORTHWESTERN UNIVERSITY (US) 2016-02-25 US disclosed
WO-2016029136-A1 3-AMIDOBENZAMIDES AND USES THEREOF FOR INCREASING CELLULAR LEVELS OF A3G NORTHWESTERN UNIVERSITY (US) 2016-02-25 WO 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-20160052870-A1 3-AMIDOBENZAMIDES AND USES THEREOF FOR INCREASING CELLULAR LEVELS OF A3G AND OTHER A3 FAMILY MEMBERS L3MBTL3, AFG3L2, AMPD3 ALDH1A1 1559/4885CYP3A4 3377/4885TSHR 3838/4885

“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.