SCHEMBL22409591

SCHEMBL22409591

Nc1ccc(N)c(-c2ccc([N+](=O)[O-])cc2)c1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.60
MAPT P10636 4/20 0.55
LMNA P02545 1/20 0.55
CA12 O43570 2/20 0.53
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
CA9 Q16790 2/20 0.53
CA14 Q9ULX7 2/20 0.53
TDP1 Q9NUW8 3/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
POLB P06746 1/20 0.52
APP P05067 1/20 0.52
CYP3A4 P08684 3/20 0.50
GAA P10253 3/20 0.50
MGAM O43451 1/20 0.50
SI P14410 1/20 0.50
MGAM2 Q2M2H8 1/20 0.50
THRB P10828 1/20 0.48
TSHR P16473 1/20 0.48

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
SCHEMBL28260452 0.90 ALDH1A1 (0.54) ALDH1A1MAPTLMNACA12CA1
SCHEMBL8986919 0.86 ALDH1A1 (0.60) ALDH1A1MAPTLMNACA12CA1
SCHEMBL28259098 0.86 ALDH1A1 (0.60) ALDH1A1MAPTLMNACA12CA1
SCHEMBL5842582 0.83 ALDH1A1 (0.53) ALDH1A1MAPTLMNACA12CA1
SCHEMBL9821491 0.83 ALDH1A1 (0.56) ALDH1A1MAPTLMNACA12CA1
SCHEMBL2932844 0.82 GAA (0.50) ALDH1A1MAPTLMNACA12CA1
SCHEMBL28866677 0.80 SMN1; SMN2 (0.48) ALDH1A1MAPTLMNATDP1MEN1
SCHEMBL6423919 0.80 CA1 (0.67) ALDH1A1MAPTLMNACA12CA1
SCHEMBL28198 0.80 CA1 (0.67) ALDH1A1MAPTLMNACA12CA1
SCHEMBL5843026 0.79 POLB (0.45) ALDH1A1MAPTLMNACA12CA1

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-11129782-B2 Derivatives of PPD useful for coloring hair and skin NATIONAL UNIVERSITY OF SINGAPORE (SG) 2021-09-28 US disclosed
US-20210179545-A1 COMPOSITIONS OF OLIGOANILINES AND METHODS OF MAKING AND USING BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2021-06-17 US disclosed
US-20200390670-A1 DERIVATIVES OF PPD USEFUL FOR COLORING HAIR AND SKIN NATIONAL UNIVERSITY OF SINGAPORE (SG) 2020-12-17 US disclosed
US-20200290954-A1 COMPOSITIONS OF OLIGOANILINES AND METHODS OF MAKING AND USING BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2020-09-17 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 (4 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-20210179545-A1 COMPOSITIONS OF OLIGOANILINES AND METHODS OF MAKING AND USING AOX1, LPO, POLI ALDH1A1 1812/4885MAPT 4458/4885LMNA 1888/4885
US-20200290954-A1 COMPOSITIONS OF OLIGOANILINES AND METHODS OF MAKING AND USING AOX1, LPO, POLI ALDH1A1 1812/4885MAPT 4458/4885LMNA 1888/4885
US-11129782-B2 Derivatives of PPD useful for coloring hair and skin TST, SDHB, NDUFS3 ALDH1A1 672/4885MAPT 2765/4885LMNA 2116/4885
US-20200390670-A1 DERIVATIVES OF PPD USEFUL FOR COLORING HAIR AND SKIN TST, SDHB, NDUFS3 ALDH1A1 672/4885MAPT 2765/4885LMNA 2116/4885

“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.