SCHEMBL7809569

SCHEMBL7809569

Nc1ccc([N+](=O)[O-])c(N2CCOCC2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 17/20 0.64
ALDH1A1 P00352 9/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
NPSR1 Q6W5P4 1/20 0.64
CTSB P07858 1/20 0.57
CYP2C9 P11712 2/20 0.56
LMNA P02545 3/20 0.55
HPGD P15428 1/20 0.55
GAA P10253 1/20 0.54
PKM P14618 1/20 0.54
CYP1A2 P05177 2/20 0.53
CYP2C19 P33261 2/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
MAPK1 P28482 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.51
KDM4E B2RXH2 1/20 0.51
POLB P06746 1/20 0.51
HTT P42858 1/20 0.51

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
SCHEMBL690222 0.88 MAPT (0.63) MAPTALDH1A1SMN1; SMN2NPSR1CTSB
SCHEMBL7800552 0.86 ALDH1A1 (0.69) MAPTALDH1A1SMN1; SMN2NPSR1CTSB
SCHEMBL3537059 0.84 ALDH1A1 (0.68) MAPTALDH1A1SMN1; SMN2NPSR1CYP2C9
SCHEMBL7809589 0.84 ALDH1A1 (0.68) MAPTALDH1A1SMN1; SMN2NPSR1CYP2C9
SCHEMBL15016552 0.82 ALDH1A1 (0.64) MAPTALDH1A1SMN1; SMN2CYP2C9LMNA
SCHEMBL7800525 0.82 MAPT (0.64) MAPTALDH1A1SMN1; SMN2CYP2C9LMNA
SCHEMBL30699269 0.82 MAPT (0.64) MAPTALDH1A1SMN1; SMN2NPSR1CTSB
SCHEMBL30953903 0.82 MAPT (0.64) MAPTALDH1A1SMN1; SMN2NPSR1CTSB
SCHEMBL5824515 0.82 MAPT (0.64) MAPTALDH1A1SMN1; SMN2NPSR1CTSB
SCHEMBL20166477 0.82 MAPT (0.64) MAPTALDH1A1SMN1; SMN2NPSR1CTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023088441-A1 KIF18A INHIBITOR 微境生物医药科技(上海)有限公司 2023-05-25 WO disclosed
US-10905665-B2 Chemical modulators of signaling pathways and therapeutic use DUKE UNIVERSITY (US) 2021-02-02 US disclosed
US-20200038350-A1 CHEMICAL MODULATORS OF SIGNALING PATHWAYS AND THERAPEUTIC USE DUKE UNIVERSITY 2020-02-06 US disclosed
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-1998001105-A2 DYES HANS SCHWARZKOPF GMBH & CO. KG (DE) 1998-01-15 WO disclosed
WO-1998001106-A2 OXIDATION 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 (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-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
US-20200038350-A1 CHEMICAL MODULATORS OF SIGNALING PATHWAYS AND THERAPEUTIC USE SFRP1, FZD7, WNT1 MAPT 3433/4885ALDH1A1 3304/4885SMN1; SMN2 4793/4885
US-10905665-B2 Chemical modulators of signaling pathways and therapeutic use SFRP1, FZD7, WNT1 MAPT 3433/4885ALDH1A1 3304/4885SMN1; SMN2 4793/4885

“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.