SCHEMBL5032637

SCHEMBL5032637

CCOC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 3/20 0.52
ALDH1A1 P00352 3/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
NPC1 O15118 1/20 0.51
GAA P10253 2/20 0.49
PKM P14618 1/20 0.49
KDM4E B2RXH2 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
PPARG P37231 1/20 0.48
PDE7A Q13946 1/20 0.47
PTPN11 Q06124 1/20 0.47
TDP1 Q9NUW8 3/20 0.46
MAPT P10636 2/20 0.46
POLB P06746 1/20 0.46
MAPK1 P28482 1/20 0.46
LMNA P02545 1/20 0.45

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
SCHEMBL4421204 0.88 HSPB1 (0.57) TBXA2RALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL9096671 0.86 TDP1 (0.59) TBXA2RALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4697726 0.86 SMN1; SMN2 (0.49) TBXA2RALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4694700 0.85 PPARG (0.61) ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL4697820 0.83 SMN1; SMN2 (0.51) TBXA2RALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL9097065 0.82 PDE7A (0.53) TBXA2RALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4941803 0.81 SMN1; SMN2 (0.59) ALDH1A1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL12236634 0.81 SMN1; SMN2 (0.59) ALDH1A1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL28160007 0.80 TSHR (0.51) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL4420346 0.79 SMN1; SMN2 (0.64) ALDH1A1SMN1; SMN2MEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7439242-B2 PPARγ modulators AMGEN INC. (US) 2008-10-21 US disclosed
US-20030088103-A1 PPARgamma modulators TULARIK INC. (US) 2003-05-08 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 (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-20030088103-A1 PPARgamma modulators PPARG, PPARA, PPARD TBXA2R 142/4885ALDH1A1 1959/4885SMN1; SMN2 3973/4885

“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.