SCHEMBL7800525

SCHEMBL7800525

Nc1ccc([N+](=O)[O-])c(N2CCNCC2)c1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.64
ALDH1A1 P00352 8/20 0.64
SMN1; SMN2 Q16637 3/20 0.63
MAPK1 P28482 1/20 0.63
RECQL P46063 1/20 0.61
LMNA P02545 2/20 0.55
GAA P10253 1/20 0.55
CYP1A2 P05177 2/20 0.51
CYP2C19 P33261 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
POLB P06746 2/20 0.50
HTR6 P50406 1/20 0.49
TSHR P16473 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CYP2C9 P11712 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL14377101 0.88 MAPT (0.57) MAPTALDH1A1SMN1; SMN2MAPK1RECQL
SCHEMBL7800552 0.86 ALDH1A1 (0.69) MAPTALDH1A1SMN1; SMN2MAPK1LMNA
SCHEMBL7809589 0.84 ALDH1A1 (0.68) MAPTALDH1A1SMN1; SMN2MAPK1LMNA
SCHEMBL3537059 0.84 ALDH1A1 (0.68) MAPTALDH1A1SMN1; SMN2MAPK1LMNA
SCHEMBL6663094 0.83 MAPT (0.66) MAPTALDH1A1SMN1; SMN2MAPK1RECQL
SCHEMBL14941307 0.82 LMNA (0.75) MAPTALDH1A1SMN1; SMN2MAPK1RECQL
SCHEMBL15016552 0.82 ALDH1A1 (0.64) MAPTALDH1A1SMN1; SMN2LMNACYP1A2
SCHEMBL7809569 0.82 MAPT (0.64) MAPTALDH1A1SMN1; SMN2MAPK1LMNA
SCHEMBL5552187 0.82 MAPT (0.64) MAPTALDH1A1SMN1; SMN2MAPK1RECQL
SCHEMBL14940749 0.82 MAPT (0.64) MAPTALDH1A1SMN1; SMN2MAPK1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010052156-A1 DYES HANS SCHWARZKOPF GMBH & CO. KG (DE) 2001-12-20 US disclosed
US-20010005914-A1 OXIDATION DYES ANDREAS J. BITTNER 2001-07-05 US disclosed
EP-0912160-A2 OXIDATION DYES Hans Schwarzkopf GmbH & Co. KG (DE) 1999-05-06 EP disclosed
EP-0910332-A2 DYES Hans Schwarzkopf GmbH & Co. KG (DE) 1999-04-28 EP disclosed
WO-1998001106-A2 OXIDATION DYES HANS SCHWARZKOPF GMBH & CO. KG (DE) 1998-01-15 WO disclosed
WO-1998001105-A2 DYES HANS SCHWARZKOPF GMBH & CO. KG (DE) 1998-01-15 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 (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-20010052156-A1 DYES KRT18, OPRD1, HTR1D MAPT 4151/4885ALDH1A1 86/4885SMN1; SMN2 3957/4885
US-20010005914-A1 OXIDATION DYES AOC1, CBR3, KRT18 MAPT 3633/4885ALDH1A1 26/4885SMN1; SMN2 4199/4885

“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.