SCHEMBL21048201

SCHEMBL21048201

O=c1[nH]c2c([N+](=O)[O-])cc([N+](=O)[O-])cc2o1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
MAPT P10636 4/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
LMNA P02545 2/20 0.46
NPC1 O15118 1/20 0.46
HSP90AA1 P07900 1/20 0.46
RAB9A P51151 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
EPHX2 P34913 1/20 0.42
CYP1A2 P05177 3/20 0.42
CYP2C9 P11712 2/20 0.42
GPR35 Q9HC97 4/20 0.40
TDP1 Q9NUW8 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
TTR P02766 1/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40

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
SCHEMBL9954720 0.82 GPR35 (0.40) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL12501369 0.82 EPHX2 (0.41) ALDH1A1MAPTLMNAEPHX2GPR35
SCHEMBL3039809 0.82 EPHX2 (0.41) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL11760932 0.81 ALDH1A1 (0.54) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL2482652 0.75 EPHX2 (0.49) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL9382154 0.73 GRIN2D (0.38) MAPTLMNANPC1L3MBTL1EPHX2
SCHEMBL217228 0.71 NOS1 (0.54) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL29475172 0.71 ALDH1A1 (0.61) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL56979 0.71 ALDH1A1 (0.61) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL30770978 0.70 ERN1 (0.33) MAPTLMNAEPHX2CYP1A2HPGD

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-10617618-B2 Agent for oxidative dyeing of hair containing anisole derivatives HENKEL AG & CO. KGAA (DE) 2020-04-14 US disclosed
US-10617618-B2 Agent for oxidative dyeing of hair containing anisole derivatives HENKEL AG & CO. KGAA (DE) 2020-04-14 US disclosed
US-20190167551-A1 AGENT FOR OXIDATIVE DYEING OF HAIR CONTAINING ANISOLE DERIVATIVES HENKEL AG & CO. KGAA (DE) 2019-06-06 US disclosed
US-20190167551-A1 AGENT FOR OXIDATIVE DYEING OF HAIR CONTAINING ANISOLE DERIVATIVES HENKEL AG & CO. KGAA (DE) 2019-06-06 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 (2 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-10617618-B2 Agent for oxidative dyeing of hair containing anisole derivatives KRT18, COXFA4L2, KAT5 ALDH1A1 96/4885MAPT 1435/4885MEN1 4797/4885
US-20190167551-A1 AGENT FOR OXIDATIVE DYEING OF HAIR CONTAINING ANISOLE DERIVATIVES KRT18, COXFA4L2, KAT5 ALDH1A1 96/4885MAPT 1435/4885MEN1 4797/4885

“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.